Summary

IMPPAT Phytochemical identifier: IMPHY017875

Phytochemical name: Spirovetiva-1(10),7(11)-diene

Synonymous chemical names:
spirovetiva-1(10),7(11)-diene

External chemical identifiers:
CID:91750199

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Chemical structure information

SMILES:
CC(=C1CCC2(C1)C(C)CCC=C2C)C

InChI:
InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13H,5,7-10H2,1-4H3

InChIKey:
MZOQYAAQXRLWQC-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC5)CC)CCC=C6C))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2(C=CCCC2)C1

Scaffold Graph/Node level:
CC1CCC2(CCCCC2)C1

Scaffold Graph level:
CC1CCC2(CCCCC2)C1

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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: Spirovetivane sesquiterpenoids

NP-Likeness score: 2.898

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Chemical structure download