Summary

IMPPAT Phytochemical identifier: IMPHY015183

Phytochemical name: 1-Formyl-2,2-dimethyl-3-trans-(3-methyl-but-2-enyl)-6-methylidene-cyclohexane

Synonymous chemical names:
1-formyl-2,2-dimethyl-3-trans-(3-methyl-but-2-enyl)-6-methylidene-cyclohexane

External chemical identifiers:
CID:21681001

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Chemical structure information

SMILES:
O=C[C@H]1C(=C)CC[C@@H](C1(C)C)CC=C(C)C

InChI:
InChI=1S/C15H24O/c1-11(2)6-8-13-9-7-12(3)14(10-16)15(13,4)5/h6,10,13-14H,3,7-9H2,1-2,4-5H3/t13-,14-/m0/s1

InChIKey:
IZQBEEISLWNFIO-KBPBESRZSA-N

DeepSMILES:
O=C[C@H]C=C)CC[C@@H]C6C)C))CC=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: Sesquiterpenoids

NP-Likeness score: 3.096

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Chemical structure download