Summary

IMPPAT Phytochemical identifier: IMPHY016717

Phytochemical name: (1R,2E,6Z,10R)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde

Synonymous chemical names:
lepidozenal

External chemical identifiers:
CID:102056373, ZINC:ZINC000014557931

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Chemical structure information

SMILES:
O=C/C/1=C/[C@@H]2[C@H](C2(C)C)CC/C(=CCC1)/C

InChI:
InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)9-14-13(8-7-11)15(14,2)3/h5,9-10,13-14H,4,6-8H2,1-3H3/b11-5-,12-9+/t13-,14-/m1/s1

InChIKey:
BLCUVJCHWZPQCX-BCOFSZNVSA-N

DeepSMILES:
O=C/C=C/[C@@H][C@H]C3C)C))CC/C=CCC%10)))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2CC2C=CCC1

Scaffold Graph/Node level:
C1CCCCC2CC2CCC1

Scaffold Graph level:
C1CCCCC2CC2CCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bicyclogermacrane sesquiterpenoids

NP-Likeness score: 3.285

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Chemical structure download