Summary
SMILES: COc1c(OC)c(O)c2c3c1CCc1c3c(oc2=O)cc(c1)OInChI: InChI=1S/C17H14O6/c1-21-15-9-4-3-7-5-8(18)6-10-11(7)12(9)13(17(20)23-10)14(19)16(15)22-2/h5-6,18-19H,3-4H2,1-2H3InChIKey: PHSQBKCKZRQIDM-UHFFFAOYSA-N
DeepSMILES: COccOC))cO)ccc6CCcc6coc%10=O)))ccc6)O
Scaffold Graph/Node/Bond level: O=c1oc2cccc3c2c2c(cccc12)CC3
Scaffold Graph/Node level: OC1OC2CCCC3CCC4CCCC1C4C32
Scaffold Graph level: CC1CC2CCCC3CCC4CCCC1C4C32
Functional groups: c=O; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Phenanthrenes and derivatives
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Phenanthrenoids
NP Classifier Class: Phenanthrenes
Synonymous chemical names:coeloginin
External chemical identifiers:CID:14427337; ZINC:ZINC000015216539
Chemical structure download