Summary

IMPPAT Phytochemical identifier: IMPHY011580

Phytochemical name: alpha-Elemol

Synonymous chemical names:
α-elemol

External chemical identifiers:
CID:6429032, SureChEMBL:SCHEMBL12978363

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Chemical structure information

SMILES:
C=C[C@]1(C)CC[C@H](CC1C(=C)C)C(O)(C)C

InChI:
InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13?,15-/m1/s1

InChIKey:
GFJIQNADMLPFOW-ILWWEHDPSA-N

DeepSMILES:
C=C[C@]C)CC[C@H]CC6C=C)C))))CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Elemane sesquiterpenoids

NP-Likeness score: 3.031

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Chemical structure download