Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002902

Phytochemical name: (-)-Neoclovene-(I), dihydro-

Synonymous chemical names:
dihydro-(–)-neoclovene, (-)-neoclovene-(i) dihydro-

External chemical identifiers:
CID:CID_557156

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Chemical structure information

SMILES:
CC1CCCC2(C3C1CC2C(C3)(C)C)C

InChI:
InChI=1S/C15H26/c1-10-6-5-7-15(4)12-9-14(2,3)13(15)8-11(10)12/h10-13H,5-9H2,1-4H3

InChIKey:
MGUPDCNFBFALJD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC7CC5CC6)C)C))))))C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph/Node level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph level:
C1CCC2C3CCC2C(C1)C3

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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: Longipinane sesquiterpenoids

NP-Likeness score: 2.812

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Chemical structure download