Summary
SMILES: COc1cc(ccc1OC(C(c1ccc(c(c1)OC)O)O)CO)C[C@H]1C(=O)OC[C@@H]1Cc1ccc(c(c1)OC)OInChI: InChI=1S/C30H34O10/c1-36-25-12-17(4-7-22(25)32)10-20-16-39-30(35)21(20)11-18-5-9-24(27(13-18)38-3)40-28(15-31)29(34)19-6-8-23(33)26(14-19)37-2/h4-9,12-14,20-21,28-29,31-34H,10-11,15-16H2,1-3H3/t20-,21+,28?,29?/m0/s1InChIKey: OPORLFDQDFWPDD-KWCNVUSUSA-N
DeepSMILES: COcccccc6OCCcccccc6)OC)))O)))))O))CO)))))))C[C@H]C=O)OC[C@@H]5Ccccccc6)OC)))O
Scaffold Graph/Node/Bond level: O=C1OCC(Cc2ccccc2)C1Cc1ccc(OCCc2ccccc2)cc1
Scaffold Graph/Node level: OC1OCC(CC2CCCCC2)C1CC1CCC(OCCC2CCCCC2)CC1
Scaffold Graph level: CC1CCC(CC2CCCCC2)C1CC1CCC(CCCC2CCCCC2)CC1
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:arctignan a
External chemical identifiers:CID:73425485; FDASRS:I4VE1O81QJ
Chemical structure download