Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018052

Phytochemical name: Pygmaein

Synonymous chemical names:
Pygmaein

Chemical structure information

SMILES:
COc1c(=O)ccccc1C(C)C

InChI:
InChI=1S/C11H14O2/c1-8(2)9-6-4-5-7-10(12)11(9)13-3/h4-8H,1-3H3

InChIKey:
RYGCRVNKQRUAPU-UHFFFAOYSA-N

DeepSMILES:
COcc=O)ccccc7CC)C

Functional groups:
cOC, c=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccccc1

Scaffold Graph/Node level:
OC1CCCCCC1

Scaffold Graph level:
CC1CCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbon derivatives

ClassyFire Class: Tropones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 0.206

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Chemical structure download