Summary
SMILES: COc1ccc2c(c1)O[C@H]1[C@@H]2COc2c1cc(OC)c(c2)OCInChI: InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-14-8-17(21-3)16(20-2)7-12(14)18(13)23-15(11)6-10/h4-8,13,18H,9H2,1-3H3/t13-,18-/m1/s1InChIKey: XCRBPIBUMBLGCZ-FZKQIMNGSA-N
DeepSMILES: COcccccc6)O[C@H][C@@H]5COcc6ccOC))cc6)OC
Scaffold Graph/Node/Bond level: c1ccc2c(c1)OC1c3ccccc3OCC21
Scaffold Graph/Node level: C1CCC2C(C1)OC1C3CCCCC3OCC21
Scaffold Graph level: C1CCC2C(C1)CC1C3CCCCC3CCC21
Functional groups: cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Isoflavonoids
ClassyFire Subclass: Furanoisoflavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Isoflavonoids
NP Classifier Class: Pterocarpan
Synonymous chemical names:2,3,9-trimethoxypterocarpan, 2-methoxyhomopterocarpin
External chemical identifiers:CID:71182772; ZINC:ZINC000014820459; SureChEMBL:SCHEMBL14479683
Chemical structure download