Summary

IMPPAT Phytochemical identifier: IMPHY015781

Phytochemical name: Kanzonol U

Synonymous chemical names:
kanzonol u

External chemical identifiers:
CID:10542808, ChEMBL:CHEMBL233147, ChEBI:174941, FDASRS:362X110XMT

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(c2)c1ccc(c2c1OC(C)(C)C=C2)O

InChI:
InChI=1S/C19H16O4/c1-19(2)8-7-13-15(21)6-5-14(18(13)23-19)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3

InChIKey:
SJIZTMNAKZAOTA-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occ5)cccccc6OCC)C)C=C6))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2cccc(-c3cc4ccccc4o3)c2OC1

Scaffold Graph/Node level:
C1CCC2OC(C3CCCC4CCCOC43)CC2C1

Scaffold Graph level:
C1CCC2CC(C3CCCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: 2-arylbenzofurans

NP-Likeness score: 2.145

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Chemical structure download