Summary

IMPPAT Phytochemical identifier: IMPHY015780

Phytochemical name: Kanzonol T

Synonymous chemical names:
kanzonol t

External chemical identifiers:
CID:101999902, ChEBI:171677, ZINC:ZINC000014558338

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Chemical structure information

SMILES:
Oc1cc2occ(c(=O)c2c(c1CCC(O)(C)C)O)c1ccc2c(c1O)C=CC(O2)(C)C

InChI:
InChI=1S/C25H26O7/c1-24(2,30)9-7-14-17(26)11-19-20(22(14)28)23(29)16(12-31-19)13-5-6-18-15(21(13)27)8-10-25(3,4)32-18/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3

InChIKey:
SBSQRDFJISUOGV-UHFFFAOYSA-N

DeepSMILES:
Occcoccc=O)c6cc%10CCCO)C)C)))))O))))cccccc6O))C=CCO6)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccc3c(c2)C=CCO3)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCC3OCCCC3C2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 2.357

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Chemical structure download