Summary

IMPPAT Phytochemical identifier: IMPHY011165

Phytochemical name: Syzalterin

Synonymous chemical names:
syzalterin

External chemical identifiers:
CID:15698703, ZINC:ZINC000014780116, MolPort-039-338-414

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)c(C)c(c(c2O)C)O

InChI:
InChI=1S/C17H14O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-7,18,20-21H,1-2H3

InChIKey:
VDYGMHWAKRDYQR-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cC)ccc6O))C))O

Functional groups:
c=O, cO, 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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.438

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Chemical structure download