Summary

IMPPAT Phytochemical identifier: IMPHY000603

Phytochemical name: Kanzonol Y

Synonymous chemical names:
kanzonol y

External chemical identifiers:
CID:10001604, ChEMBL:CHEMBL2437363, ZINC:ZINC000059774507

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Chemical structure information

SMILES:
CC(=CCc1cc(ccc1O)C[C@H](C(=O)c1cc(CC=C(C)C)c(cc1O)O)O)C

InChI:
InChI=1S/C25H30O5/c1-15(2)5-8-18-11-17(7-10-21(18)26)12-24(29)25(30)20-13-19(9-6-16(3)4)22(27)14-23(20)28/h5-7,10-11,13-14,24,26-29H,8-9,12H2,1-4H3/t24-/m1/s1

InChIKey:
DKIYWPRXYDNQFG-XMMPIXPASA-N

DeepSMILES:
CC=CCcccccc6O))))C[C@H]C=O)cccCC=CC)C))))ccc6O)))O))))))O))))))))C

Functional groups:
CC=C(C)C, CO, cC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.487

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Chemical structure download