Summary
SMILES: C=CC(Oc1c(OC)cc(cc1OC)c1coc2c(c1=O)c(O)c1c(c2)OC(C1)C(=C)C)(C)CInChI: InChI=1S/C27H28O7/c1-8-27(4,5)34-26-21(30-6)9-15(10-22(26)31-7)17-13-32-20-12-19-16(11-18(33-19)14(2)3)24(28)23(20)25(17)29/h8-10,12-13,18,28H,1-2,11H2,3-7H3InChIKey: XUNJCHOQUWRGCB-UHFFFAOYSA-N
DeepSMILES: C=CCOccOC))cccc6OC))))ccoccc6=O))cO)ccc6)OCC5)C=C)C)))))))))))))))))C)C
Scaffold Graph/Node/Bond level: O=c1c(-c2ccccc2)coc2cc3c(cc12)CCO3
Scaffold Graph/Node level: OC1C(C2CCCCC2)COC2CC3OCCC3CC21
Scaffold Graph level: CC1C(C2CCCCC2)CCC2CC3CCCC3CC21
Functional groups: C=C(C)C; C=CC; c=O; 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 b
External chemical identifiers:CID:14035925; ChEBI:169813
Chemical structure download