Summary
SMILES: C=CC(Oc1c(OC)cc(cc1OC)c1coc2c(c1=O)c(O)c1c(c2)OC(C=C1)(C)C)(C)CInChI: InChI=1S/C27H28O7/c1-8-26(2,3)34-25-20(30-6)11-15(12-21(25)31-7)17-14-32-19-13-18-16(9-10-27(4,5)33-18)23(28)22(19)24(17)29/h8-14,28H,1H2,2-7H3InChIKey: KUMFNGIFCQBBKW-UHFFFAOYSA-N
DeepSMILES: C=CCOccOC))cccc6OC))))ccoccc6=O))cO)ccc6)OCC=C6))C)C))))))))))))))))C)C
Scaffold Graph/Node/Bond level: O=c1c(-c2ccccc2)coc2cc3c(cc12)C=CCO3
Scaffold Graph/Node level: OC1C(C2CCCCC2)COC2CC3OCCCC3CC21
Scaffold Graph level: CC1C(C2CCCCC2)CCC2CC3CCCCC3CC21
Functional groups: C=CC; c=O; cC=CC; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Isoflavonoids
ClassyFire Subclass: Isoflavans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Isoflavonoids
NP Classifier Class: Isoflavones
Synonymous chemical names:pumilaisoflavone a
External chemical identifiers:CID:14035924; ZINC:ZINC000014683370
Chemical structure download