Summary

IMPPAT Phytochemical identifier: IMPHY002064

Phytochemical name: Coreopsin

Synonymous chemical names:
coreopsin

External chemical identifiers:
CID:12303942

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Chemical structure information

SMILES:
OCC1OC(Oc2ccc(c(c2)O)C(=O)/C=C/c2ccc(c(c2)O)O)C(C(C1O)O)O

InChI:
InChI=1S/C21H22O10/c22-9-17-18(27)19(28)20(29)21(31-17)30-11-3-4-12(15(25)8-11)13(23)5-1-10-2-6-14(24)16(26)7-10/h1-8,17-22,24-29H,9H2/b5-1+

InChIKey:
QMVODIKHHIRSGI-ORCRQEGFSA-N

DeepSMILES:
OCCOCOcccccc6)O))C=O)/C=C/cccccc6)O))O)))))))))))))CCC6O))O))O

Functional groups:
CO, c/C=C/C(c)=O, cO, cOC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccc(OC2CCCCO2)cc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCC(OC2CCCCO2)CC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.568

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Chemical structure download