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Small Molecules & Compound Libraries
Ligand families
Activin and Inhibin
2-[(4aS,7R,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]isoindole-1,3-dione , Mu opioid receptor partial agonist, CAS No.118753644, Mu opioid receptor partial agonist
2-[(4aS,7R,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]isoindole-1,3-dione , Mu opioid receptor partial agonist, CAS No.118753644, Mu opioid receptor partial agonist
Molecular Weight: 472.5
PubChem CID:
118753644
Basic Description
Synonyms
TAK-363 | TRK-130 | CHEMBL3545408 | TAK363
Action Type
PARTIAL AGONIST
Mechanism of action
Mu opioid receptor partial agonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
Phthalimides Tetralins Coumarans Isoindoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines N-substituted carboxylic acid imides Piperidines Tertiary alcohols Cyclic alcohols and derivatives Trialkylamines 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthrene - Phthalimide - Isoindolone - Tetralin - Isoindoline - Isoindole - Isoindole or derivatives - Coumaran - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Carboxylic acid imide, n-substituted - Piperidine - Carboxylic acid imide - Cyclic alcohol - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Oxacycle - Amine - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-[(4aS,7R,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]isoindole-1,3-dione
INCHI
InChI=1S/C28H28N2O5/c31-20-8-7-16-13-21-28(34)10-9-19(30-25(32)17-3-1-2-4-18(17)26(30)33)24-27(28,22(16)23(20)35-24)11-12-29(21)14-15-5-6-15/h1-4,7-8,15,19,21,24,31,34H,5-6,9-14H2/t19-,21?,24?,27+,28-/m1/s1
InChIKey
DHAITNWJDOSRBU-RCSSWNHXSA-N
Smiles
C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)N7C(=O)C8=CC=CC=C8C7=O
Isomeric SMILES
C1C[C@]2(C3CC4=C5[C@@]2(CCN3CC6CC6)C([C@@H]1N7C(=O)C8=CC=CC=C8C7=O)OC5=C(C=C4)O)O
PubChem CID
118753644
Molecular Weight
472.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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