Summary

IMPPAT Phytochemical identifier: IMPHY015784

Phytochemical name: Kanzonol X

Synonymous chemical names:
kanzonol x

External chemical identifiers:
CID:10046166, ChEMBL:CHEMBL606241, ZINC:ZINC000014780875, SureChEMBL:SCHEMBL4450684

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Chemical structure information

SMILES:
CC(=CCc1c(O)ccc2c1OC[C@H](C2)c1ccc(c(c1O)CC=C(C)C)O)C

InChI:
InChI=1S/C25H30O4/c1-15(2)5-8-20-22(26)12-10-19(24(20)28)18-13-17-7-11-23(27)21(9-6-16(3)4)25(17)29-14-18/h5-7,10-12,18,26-28H,8-9,13-14H2,1-4H3/t18-/m0/s1

InChIKey:
KZTSESJJLOEXBX-SFHVURJKSA-N

DeepSMILES:
CC=CCccO)cccc6OC[C@H]C6)cccccc6O))CC=CC)C)))))O))))))))))))))))C

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: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Pterocarpan

NP-Likeness score: 1.798

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Chemical structure download