Summary

IMPPAT Phytochemical identifier: IMPHY012636

Phytochemical name: beta-Neoclovene

Synonymous chemical names:
neoclovenes,beta-

External chemical identifiers:
CID:595094, ChEBI:89061

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Chemical structure information

SMILES:
C=C1CCCC2(C31CCC2C(C3)(C)C)C

InChI:
InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h12H,1,5-10H2,2-4H3

InChIKey:
BUDWHMNUSAOQBI-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6CCC5CC6)C)C))))))C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C3CCC12CC3

Scaffold Graph/Node level:
CC1CCCC2C3CCC12CC3

Scaffold Graph level:
CC1CCCC2C3CCC12CC3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Clovane sesquiterpenoids

NP-Likeness score: 3.111

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Chemical structure download