Summary

IMPPAT Phytochemical identifier: IMPHY009975

Phytochemical name: Eudesm-3-en-7-ol

Synonymous chemical names:
eudesm-3-en-7-ol

External chemical identifiers:
CID:91747872

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Chemical structure information

SMILES:
CC1C=CC[C@@]2(C1CC(O)(CC2)C(C)C)C

InChI:
InChI=1S/C15H26O/c1-11(2)15(16)9-8-14(4)7-5-6-12(3)13(14)10-15/h5-6,11-13,16H,7-10H2,1-4H3/t12?,13?,14-,15?/m0/s1

InChIKey:
QTYOCPHBJLCFIG-YFXXHVASSA-N

DeepSMILES:
CCC=CC[C@@]C6CCO)CC6))CC)C)))))C

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCCC2C1

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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.811

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Chemical structure download