Summary

IMPPAT Phytochemical identifier: IMPHY015444

Phytochemical name: 7R,8R-8-Hydroxy-4-isopropylidene-7-methylbicyclo[5.3.1]undec-1-ene

Synonymous chemical names:
7r,8r-8-hydroxy-4-isopropylidene-7-methylbicyclo(5.3.1) undec-1-ene

External chemical identifiers:
CID:21160893

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Chemical structure information

SMILES:
CC(=C1CC=C2CC[C@H]([C@](CC1)(C2)C)O)C

InChI:
InChI=1S/C15H24O/c1-11(2)13-6-4-12-5-7-14(16)15(3,10-12)9-8-13/h4,14,16H,5-10H2,1-3H3/b12-4-/t14-,15-/m1/s1

InChIKey:
KJKNNQHQAHDKSZ-GVEVTVJESA-N

DeepSMILES:
CC=CCC=CCC[C@H][C@]CC%10))C6)C))O))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC=C2CCCC(CC1)C2

Scaffold Graph/Node level:
CC1CCC2CCCC(CC1)C2

Scaffold Graph level:
CC1CCC2CCCC(CC1)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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.065

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Chemical structure download