Summary

IMPPAT Phytochemical identifier: IMPHY001074

Phytochemical name: Cowaxanthone

Synonymous chemical names:
cowaxanthone

External chemical identifiers:
CID:10386850, ChEMBL:CHEMBL517161, ZINC:ZINC000015120682

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Chemical structure information

SMILES:
COc1cc2c(cc1O)oc1c(c2=O)c(O)c(c(c1)O)C/C=C(/CCC=C(C)C)C

InChI:
InChI=1S/C24H26O6/c1-13(2)6-5-7-14(3)8-9-15-17(25)11-21-22(23(15)27)24(28)16-10-20(29-4)18(26)12-19(16)30-21/h6,8,10-12,25-27H,5,7,9H2,1-4H3/b14-8+

InChIKey:
VEGUCVDYIMCIAZ-RIYZIHGNSA-N

DeepSMILES:
COcccccc6O)))occc6=O))cO)ccc6)O))C/C=C/CCC=CC)C)))))C

Functional groups:
C/C=C(/C)C, CC=C(C)C, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.976

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Chemical structure download