Summary

IMPPAT Phytochemical identifier: IMPHY003187

Phytochemical name: Fallacinol

Synonymous chemical names:
fallacinol

External chemical identifiers:
CID:3083633, ChEBI:144153, SureChEMBL:SCHEMBL16225969

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Chemical structure information

SMILES:
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)OC

InChI:
InChI=1S/C16H12O6/c1-22-8-4-10-14(12(19)5-8)16(21)13-9(15(10)20)2-7(6-17)3-11(13)18/h2-5,17-19H,6H2,1H3

InChIKey:
WJXSYUJKJSOJOG-UHFFFAOYSA-N

DeepSMILES:
OCcccO)ccc6)C=O)ccC6=O))cO)ccc6)OC

Functional groups:
CO, cC(c)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.22

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Chemical structure download