Erteberel
(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
Molecular Identity
Erteberel
(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
PubChem CID: 10286159
2D Structure
Properties
C18H18O3
Molecular Formula
282.30
Molecular Weight
g/mol
282.1256
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
49.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
363
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Erteberel533884-09-2LY500307SERBA-1LY-5003072ZUL6758TZDTXSID70201547Cyclopenta(c)(1)benzopyran-8-ol, 1,2,3,3a,4,9b-hexahydro-4-(4-hydroxyphenyl)-, (3aS,4R,9bR)-(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-olerteberelum(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta(c)(1)benzopyran-8-olRefChem:591094DTXCID00124038(2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo(7.4.0.02,?)trideca-1(9),10,12-trien-12-ol(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
Data from PubChem (NCBI)
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