Summary

IMPPAT Phytochemical identifier: IMPHY017599

Phytochemical name: Eremophila-1(10),7(11)-dien-2-alpha-ol

Synonymous chemical names:
eremophila-1(10),7(11)-dien-2α-ol(isonootkatool-vetiselinenol)

External chemical identifiers:
CID:6428379

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Chemical structure information

SMILES:
CC(=C1CCC2[C@](C1)(C)C(=C)[C@@H](CC2)O)C

InChI:
InChI=1S/C15H24O/c1-10(2)12-5-6-13-7-8-14(16)11(3)15(13,4)9-12/h13-14,16H,3,5-9H2,1-2,4H3/t13?,14-,15+/m1/s1

InChIKey:
ZRRALBDIFLTORZ-DMJDIKPUSA-N

DeepSMILES:
CC=CCCC[C@]C6)C)C=C)[C@@H]CC6))O))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCC(=C)C2C1

Scaffold Graph/Node level:
CC1CCC2CCCC(C)C2C1

Scaffold Graph level:
CC1CCC2CCCC(C)C2C1

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 2.797

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Chemical structure download