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Basic Description
| Synonyms | 3-methoxy-estra-1,3,5(10)-trien-17-one | 3-Methoxyestra-1,3,5(10)-trien-17-one | 70U0WT21IB | MLS000028621 | DTXSID40167368 | Estra-1,3,5(10)-trien-17-one, 3-(methoxy)-, (+/-)- | Myricetin 3-rhamnoside | (3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-1H,2H,3H,3a |
|---|---|
| Specifications & Purity | ≥98% |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
- Subclass Estrane steroids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Estrane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Estrane steroids |
| Alternative Parents | 17-oxosteroids Phenanthrenes and derivatives Tetralins Anisoles Alkyl aryl ethers Ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Estrane-skeleton - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - Anisole - Alkyl aryl ether - Benzenoid - Ketone - Ether - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton. |
| External Descriptors | Not available |
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Associated Targets(Human)
CYP1B1
Tchem
Cytochrome P450 1B1 (1148 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HSD17B1
Tchem
Estradiol 17-beta-dehydrogenase 1 (2224 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SMN1
Tchem
Survival motor neuron protein (34246 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
LMNA
Tbio
Prelamin-A/C (36751 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
RECQL
Tbio
ATP-dependent DNA helicase Q1 (5575 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SMAD3
Tchem
Mothers against decapentaplegic homolog 3 (68039 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GMNN
Tbio
Geminin (128009 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
RUNX1
Tbio
Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Eif4e
Eukaryotic translation initiation factor 4E (654 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mapt
Microtubule-associated protein tau (6 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ffp
4'-phosphopantetheinyl transferase ffp (24982 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ESR1
Estrogen receptor (4 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488186741 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186741 |
| IUPAC Name | (8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| INCHI | InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1 |
| InChIKey | BCWWDWHFBMPLFQ-VXNCWWDNSA-N |
| Smiles | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC |
| Molecular Weight | 284.40 |
| Reaxy-Rn | 2058643 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2058643&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2316673 |
Certificate of Analysis | May 18, 2023 | E404101 |
| F2316049 |
Certificate of Analysis | May 18, 2023 | E404101 |
| F2315904 |
Certificate of Analysis | May 18, 2023 | E404101 |
| F23151047 |
Certificate of Analysis | May 18, 2023 | E404101 |
| F2315898 |
Certificate of Analysis | May 18, 2023 | E404101 |
| F2315894 |
Certificate of Analysis | May 18, 2023 | E404101 |
Chemical and Physical Properties
| Solubility | (soluble in) chloroform |
|---|---|
| Specific Rotation[α] | [a]20/D +154.0 — +164.0 deg(C=1、CHCl3) |
| Melt Point(°C) | 170.0 to 174.0 °C |
| Molecular Weight | 284.400 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 284.178 Da |
| Monoisotopic Mass | 284.178 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 431.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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
Customer Reviews
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