Summary

IMPPAT Phytochemical identifier: IMPHY002402

Phytochemical name: Isovetiselinenol

Synonymous chemical names:
isovetiselinenol

Chemical structure information

SMILES:
OC1CC(=C)[C@@H]2[C@](C1)(C)CC=C(C2)C(C)C

InChI:
InChI=1S/C15H24O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h5,10,13-14,16H,3,6-9H2,1-2,4H3/t13?,14-,15-/m1/s1

InChIKey:
VOQCANHVRSWHJK-JVIGXAJISA-N

DeepSMILES:
OCCC=C)[C@@H][C@]C6)C)CC=CC6)CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC=CCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: 3.372

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Chemical structure download