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solanidine , CAS No.S613653

COA COA
In stock
Item Number
S613653
Grouped product items
SKU Size
Availability
 Price Qty
S613653-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,001.90
S613653-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$4,001.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms Solanidine | 80-78-4 | Solatubin | Solatubine | Solanidin | 22R,25S-Solanidanine | Solanid-5-en-3beta-ol | 22R,25S-Solanidine | 3-beta-Solanid-5-en-3-ol | Solanid-5-en-3-beta-ol | Solanid-5-en-3-ol, (3.beta.)- | W7801OHM8B | CHEBI:28374 | NSC76025 | NSC-76025 | NSC 76025 | Solanid-5-en-
Specifications & Purity Moligand™
Grade Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Steroids and steroid derivatives
Subclass Steroidal alkaloids
Intermediate Tree Nodes Not available
Direct Parent Solanidines and derivatives
Alternative Parents 3-beta-hydroxysteroids  3-beta-hydroxy delta-5-steroids  Delta-5-steroids  Azasteroids and derivatives  Indolizidines  Alkaloids and derivatives  Piperidines  N-alkylpyrrolidines  Trialkylamines  Secondary alcohols  Cyclic alcohols and derivatives  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular Framework Aliphatic heteropolycyclic compounds
Substituents Solanidane skeleton - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Azasteroid - Delta-5-steroid - Alkaloid or derivatives - Indolizidine - N-alkylpyrrolidine - Piperidine - Cyclic alcohol - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organooxygen compound - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as solanidines and derivatives. These are steroids with a structure based on the solanidane skeleton. Solanidane arises from the conversion of a cholestane side-chain into a bicyclic system.
External Descriptors Solanidines and alkaloid derivatives

Associated Targets(Human)

A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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HOP-92 (41141 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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MDA-MB-435 (38290 Activities)
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MDA-N (28205 Activities)
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Malme-3M (44254 Activities)
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MDA-MB-231 (73002 Activities)
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Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

INCHI InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
InChIKey JVKYZPBMZPJNAJ-OQFNDJACSA-N
Smiles C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C
Isomeric SMILES C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C
PubChem CID 65727

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 397.600 g/mol
XLogP3 6.100
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 397.334 Da
Monoisotopic Mass 397.334 Da
Topological Polar Surface Area 23.500 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 715.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

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