Summary

IMPPAT Phytochemical identifier: IMPHY009334

Phytochemical name: Phomarin

Synonymous chemical names:
phomarin

External chemical identifiers:
CID:12314177, ChEBI:174349, ZINC:ZINC000013334399, SureChEMBL:SCHEMBL2455238

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Chemical structure information

SMILES:
Oc1ccc2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C

InChI:
InChI=1S/C15H10O4/c1-7-4-11-13(12(17)5-7)15(19)9-3-2-8(16)6-10(9)14(11)18/h2-6,16-17H,1H3

InChIKey:
CABAPJGWBVFEQH-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)C=O)ccC6=O))cO)ccc6)C

Functional groups:
cC(c)=O, cO

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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: 1.23

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Chemical structure download