Summary

IMPPAT Phytochemical identifier: IMPHY008105

Phytochemical name: Flaccidine

Synonymous chemical names:
flaccidine

External chemical identifiers:
CID:44260021, ZINC:ZINC000014437074

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Chemical structure information

SMILES:
C/C=C(C(=O)Oc1c(oc2c(c1=O)c(O)cc(c2OC)O)c1ccc(c(c1)OC)OC)/C

InChI:
InChI=1S/C23H22O9/c1-6-11(2)23(27)32-22-18(26)17-13(24)10-14(25)20(30-5)21(17)31-19(22)12-7-8-15(28-3)16(9-12)29-4/h6-10,24-25H,1-5H3/b11-6-

InChIKey:
NSTVGBOIHUUJLX-WDZFZDKYSA-N

DeepSMILES:
C/C=CC=O)Occoccc6=O))cO)ccc6OC)))O)))))))cccccc6)OC)))OC))))))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.641

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Chemical structure download