Summary

IMPPAT Phytochemical identifier: IMPHY003601

Phytochemical name: (1R,4aR,8aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol

Synonymous chemical names:
juniper camphor, juniper camphor c, junipercamphor

External chemical identifiers:
CID:5318734, SureChEMBL:SCHEMBL16567847

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Chemical structure information

SMILES:
CC(=C1CC[C@@]2([C@@H](C1)[C@](C)(O)CCC2)C)C

InChI:
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3/t13-,14-,15-/m1/s1

InChIKey:
STRABSCAWZINIF-RBSFLKMASA-N

DeepSMILES:
CC=CCC[C@@][C@@H]C6)[C@]C)O)CCC6)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 3.034

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Chemical structure download