Summary

IMPPAT Phytochemical identifier: IMPHY004866

Phytochemical name: Droserone

Synonymous chemical names:
droserone

External chemical identifiers:
CID:442739

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Chemical structure information

SMILES:
CC1=C(O)c2cccc(c2C(=O)C1=O)O

InChI:
InChI=1S/C11H8O4/c1-5-9(13)6-3-2-4-7(12)8(6)11(15)10(5)14/h2-4,12-13H,1H3

InChIKey:
KILMMLMKSQWMTN-UHFFFAOYSA-N

DeepSMILES:
CC=CO)cccccc6C=O)C%10=O))))O

Functional groups:
CC1=C(O)ccC(=O)C1=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc2C1=O

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1O

Scaffold Graph level:
CC1CCC2CCCCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.359

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Chemical structure download