Summary

IMPPAT Phytochemical identifier: IMPHY015783

Phytochemical name: Kanzonol W

Synonymous chemical names:
kanzonol w

External chemical identifiers:
CID:15380912, ChEMBL:CHEMBL591772, ChEBI:175273, ZINC:ZINC000045337018

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)c1cc2ccc3c(c2oc1=O)C=CC(O3)(C)C

InChI:
InChI=1S/C20H16O5/c1-20(2)8-7-14-17(25-20)6-3-11-9-15(19(23)24-18(11)14)13-5-4-12(21)10-16(13)22/h3-10,21-22H,1-2H3

InChIKey:
VFIXONREXXFDQV-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))cccccccc6oc%10=O))))C=CCO6)C)C

Functional groups:
c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2c3c(ccc2cc1-c1ccccc1)OCC=C3

Scaffold Graph/Node level:
OC1OC2C(CCC3OCCCC32)CC1C1CCCCC1

Scaffold Graph level:
CC1CC2C(CCC3CCCCC32)CC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Pyranoisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Pyranocoumarins, Simple coumarins

NP-Likeness score: 1.875

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Chemical structure download