Summary

IMPPAT Phytochemical identifier: IMPHY015568

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

Synonymous chemical names:
cis-muurol-5-en-4a-ol, cis-muurol-5en-4-α-ol, cis-muurolol-5-en-4-α-ol

External chemical identifiers:
CID:6430793

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Chemical structure information

SMILES:
CC([C@H]1CC[C@H](C2C1=C[C@@](C)(O)CC2)C)C

InChI:
InChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h9-13,16H,5-8H2,1-4H3/t11-,12-,13?,15+/m1/s1

InChIKey:
IHEUASSNMSDWFX-BDMBVICOSA-N

DeepSMILES:
CC[C@H]CC[C@H]CC6=C[C@@]C)O)CC6))))))C)))))C

Functional groups:
CC(C)=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Cadinane sesquiterpenoids, Guaiane sesquiterpenoids

NP-Likeness score: 2.721

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Chemical structure download