Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007873

Phytochemical name: cis-Muurol-5-en-4-beta-ol

Synonymous chemical names:
cis-Muurol-5-en-4-beta-ol, cis-muurol-5-en-4β-ol, cis-muurol-5en-4-β-ol

External chemical identifiers:
CID:CID_6428412

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Chemical structure information

SMILES:
CC1CCC2C(=C1)[C@](O)(CC[C@@H]2C)C(C)C

InChI:
InChI=1S/C15H26O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-13,16H,5-8H2,1-4H3/t11?,12-,13?,15-/m0/s1

InChIKey:
UAJHVFUBIKCODA-GWIFJHRUSA-N

DeepSMILES:
CCCCCC=C6)[C@]O)CC[C@@H]6C))))CC)C

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

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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: 2.563

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Chemical structure download