Summary

IMPPAT Phytochemical identifier: IMPHY000909

Phytochemical name: Kazinol A

Synonymous chemical names:
kazinol, kazinol a

External chemical identifiers:
CID:442414, ChEMBL:CHEMBL465167, ChEBI:6118, ZINC:ZINC000004098326, SureChEMBL:SCHEMBL4743876, MolPort-005-945-730

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Chemical structure information

SMILES:
CC(=CCc1c(cc(c(c1O)O)CC=C(C)C)[C@@H]1CCc2c(O1)cc(cc2)O)C

InChI:
InChI=1S/C25H30O4/c1-15(2)5-7-18-13-21(20(11-6-16(3)4)25(28)24(18)27)22-12-9-17-8-10-19(26)14-23(17)29-22/h5-6,8,10,13-14,22,26-28H,7,9,11-12H2,1-4H3/t22-/m0/s1

InChIKey:
QXHVECWDOBLWPW-QFIPXVFZSA-N

DeepSMILES:
CC=CCcccccc6O))O))CC=CC)C))))))[C@@H]CCccO6)cccc6))O))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccccc3O2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 1.967

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Chemical structure download