Summary
SMILES: COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)cc(c1O)C(C(c1ccc(c(c1)OC)O)O)COInChI: InChI=1S/C31H36O10/c1-37-25-8-5-17(12-27(25)39-3)9-20-16-41-31(36)21(20)10-18-11-22(30(35)28(13-18)40-4)23(15-32)29(34)19-6-7-24(33)26(14-19)38-2/h5-8,11-14,20-21,23,29,32-35H,9-10,15-16H2,1-4H3/t20-,21+,23?,29?/m0/s1InChIKey: HDTODGZKAUQBPM-DVYQMHLFSA-N
DeepSMILES: COcccC[C@H]C=O)OC[C@@H]5Ccccccc6)OC)))OC)))))))))))))ccc6O))CCcccccc6)OC)))O)))))O))CO
Scaffold Graph/Node/Bond level: O=C1OCC(Cc2ccccc2)C1Cc1cccc(CCc2ccccc2)c1
Scaffold Graph/Node level: OC1OCC(CC2CCCCC2)C1CC1CCCC(CCC2CCCCC2)C1
Scaffold Graph level: CC1CCC(CC2CCCCC2)C1CC1CCCC(CCC2CCCCC2)C1
Functional groups: CO; COC(C)=O; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lignans, neolignans and related compoundsClassyFire Class: Furanoid lignans
ClassyFire Subclass: Tetrahydrofuran lignans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Lignans
NP Classifier Class: Dibenzylbutyrolactone lignans|Neolignans
Synonymous chemical names:lappaol d
External chemical identifiers:CID:73425499; FDASRS:FTI1E186L5
Chemical structure download