Summary

IMPPAT Phytochemical identifier: IMPHY013718

Phytochemical name: Kanzonol R

Synonymous chemical names:
kanzonol r

External chemical identifiers:
CID:131753027, ChEBI:175772

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Chemical structure information

SMILES:
COc1ccc(c(c1CC=C(C)C)O)C1COc2c(C1)c(OC)cc(c2)O

InChI:
InChI=1S/C22H26O5/c1-13(2)5-6-17-19(25-3)8-7-16(22(17)24)14-9-18-20(26-4)10-15(23)11-21(18)27-12-14/h5,7-8,10-11,14,23-24H,6,9,12H2,1-4H3

InChIKey:
RRBCXJUMJUPDST-UHFFFAOYSA-N

DeepSMILES:
COcccccc6CC=CC)C)))))O))CCOccC6)cOC))ccc6)O

Functional groups:
CC=C(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2COc3ccccc3C2)cc1

Scaffold Graph/Node level:
C1CCC(C2COC3CCCCC3C2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 2.053

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Chemical structure download