Summary

IMPPAT Phytochemical identifier: IMPHY007526

Phytochemical name: Leptosidin

Synonymous chemical names:
leptosidin

External chemical identifiers:
CID:5281257, ChEMBL:CHEMBL3799890, ChEBI:6412, ZINC:ZINC000004642934, SureChEMBL:SCHEMBL6804084

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Chemical structure information

SMILES:
COc1c(O)ccc2c1O/C(=Cc1ccc(c(c1)O)O)/C2=O

InChI:
InChI=1S/C16H12O6/c1-21-16-11(18)5-3-9-14(20)13(22-15(9)16)7-8-2-4-10(17)12(19)6-8/h2-7,17-19H,1H3/b13-7-

InChIKey:
PFRGTMTYWMVLMU-QPEQYQDCSA-N

DeepSMILES:
COccO)cccc6O/C=Ccccccc6)O))O))))))/C5=O

Functional groups:
c/C=C1OccC1=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C(=Cc2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1C(CC2CCCCC2)OC2CCCCC21

Scaffold Graph level:
CC1C(CC2CCCCC2)CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Aurone flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Aurones

NP-Likeness score: 0.783

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Chemical structure download