Summary

IMPPAT Phytochemical identifier: IMPHY016822

Phytochemical name: Photocitral B

Synonymous chemical names:
photocitral b

External chemical identifiers:
CID:296248

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Chemical structure information

SMILES:
O=CC1C2CCC1(C2(C)C)C

InChI:
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(7)6-11/h6-8H,4-5H2,1-3H3

InChIKey:
AGTSNXAZDKAPHU-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC5C5C)C))C

Functional groups:
CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC1C2

Scaffold Graph/Node level:
C1CC2CC1C2

Scaffold Graph level:
C1CC2CC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids, Carane monoterpenoids

NP-Likeness score: 2.076

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Chemical structure download