Summary

IMPPAT Phytochemical identifier: IMPHY010244

Phytochemical name: (1S,5S,8S)-4,4,8-Trimethyltricyclo[6.3.1.01,5]dodec-2-ene

Synonymous chemical names:
clovene

External chemical identifiers:
CID:10102

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Chemical structure information

SMILES:
C[C@]12CCC[C@@]3(C2)[C@@H](CC1)C(C=C3)(C)C

InChI:
InChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h9-10,12H,4-8,11H2,1-3H3/t12-,14-,15+/m0/s1

InChIKey:
MKZIRHIVARSBHI-AEGPPILISA-N

DeepSMILES:
C[C@@]CCC[C@@]C6)[C@@H]CC8))CC=C5))C)C

Functional groups:
CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCCC(CCC2C1)C3

Scaffold Graph/Node level:
C1CC2CCC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CCC3CCCC3(C1)C2

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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: Clovane sesquiterpenoids

NP-Likeness score: 3.179

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Chemical structure download