Summary

IMPPAT Phytochemical identifier: IMPHY016840

Phytochemical name: Salviadienol

Synonymous chemical names:
salviadienol

External chemical identifiers:
CID:91753726

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Chemical structure information

SMILES:
C=C1CC[C@@H]([C@@]2(C(=C1)[C@H](CC2)C(C)C)C)O

InChI:
InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(12)9-11(3)5-6-14(15)16/h9-10,12,14,16H,3,5-8H2,1-2,4H3/t12-,14+,15+/m1/s1

InChIKey:
JKYVXHLCMIJYEY-SNPRPXQTSA-N

DeepSMILES:
C=CCC[C@@H][C@@]C=C7)[C@H]CC5))CC)C))))C))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=C2CCCC2CCC1

Scaffold Graph/Node level:
CC1CCCC2CCCC2C1

Scaffold Graph level:
CC1CCCC2CCCC2C1

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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: 3.115

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Chemical structure download