Summary

IMPPAT Phytochemical identifier: IMPHY013723

Phytochemical name: Clausantalene

Synonymous chemical names:
clausantalene

External chemical identifiers:
CID:133562511

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Chemical structure information

SMILES:
CC(=CC[C@H]([C@@]1(C)C2CCC([C@@]1(C)O)C2)O)C

InChI:
InChI=1S/C15H26O2/c1-10(2)5-8-13(16)14(3)11-6-7-12(9-11)15(14,4)17/h5,11-13,16-17H,6-9H2,1-4H3/t11?,12?,13-,14-,15-/m1/s1

InChIKey:
VORYVMSYLVEJBA-CLACGNGHSA-N

DeepSMILES:
CC=CC[C@H][C@@]C)CCCC[C@@]6C)O))C5))))))O))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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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: Santalane sesquiterpenoids

NP-Likeness score: 2.145

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Chemical structure download