Summary

IMPPAT Phytochemical identifier: IMPHY012307

Phytochemical name: Photocitral A

Synonymous chemical names:
epiphotocitral a, photo citral a, photocitral a, photocitral-a

External chemical identifiers:
CID:102684, ChEBI:171976, SureChEMBL:SCHEMBL20446694

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Chemical structure information

SMILES:
O=CC1C(C)CCC1C(=C)C

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

InChIKey:
JCDLXWAYWSJVTP-UHFFFAOYSA-N

DeepSMILES:
O=CCCC)CCC5C=C)C

Functional groups:
C=C(C)C, CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 2.511

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Chemical structure download