Summary

IMPPAT Phytochemical identifier: IMPHY014694

Phytochemical name: (1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol

Synonymous chemical names:
(-)-spathulenol

External chemical identifiers:
CID:6432706

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Chemical structure information

SMILES:
C=C1CCC2C([C@H]3[C@@H]1CC[C@@]3(C)O)C2(C)C

InChI:
InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11?,12-,13?,15-/m1/s1

InChIKey:
FRMCCTDTYSRUBE-VOSWHAFNSA-N

DeepSMILES:
C=CCCCC[C@H][C@@H]7CC[C@@]5C)O))))))C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC2C2CCCC12

Scaffold Graph/Node level:
CC1CCC2CC2C2CCCC12

Scaffold Graph level:
CC1CCC2CC2C2CCCC12

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 3.307

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Chemical structure download