Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006527

Phytochemical name: Tabularin

Synonymous chemical names:
Tabularin, tabularin(5,7-dihydroxy-6,2',4',5'-tetramethoxyflavone, tabularin

External chemical identifiers:
CID:CID_44258537, ZINC:ZINC000014436599

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Chemical structure information

SMILES:
COc1cc(OC)c(cc1c1cc(=O)c2c(o1)cc(c(c2O)OC)O)OC

InChI:
InChI=1S/C19H18O8/c1-23-12-8-15(25-3)14(24-2)5-9(12)13-6-10(20)17-16(27-13)7-11(21)19(26-4)18(17)22/h5-8,21-22H,1-4H3

InChIKey:
WGBYXADIGKYTAA-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6ccc=O)cco6)cccc6O))OC)))O))))))))))OC

Functional groups:
cOC, c=O, coc, cO

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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: Flavones

NP-Likeness score: 1.213

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Chemical structure download