Summary

IMPPAT Phytochemical identifier: IMPHY017869

Phytochemical name: 10-Hydroxy-6,10-epoxy-7(14)-isodaucane

Synonymous chemical names:
10-hydroxy-6,10-epoxy-7(14)-isodaucane

External chemical identifiers:
CID:91750030

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Chemical structure information

SMILES:
CC(C1CC[C@]2(C1C1OC2(O)CCC1C)C)C

InChI:
InChI=1S/C15H26O2/c1-9(2)11-6-7-14(4)12(11)13-10(3)5-8-15(14,16)17-13/h9-13,16H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15?/m0/s1

InChIKey:
ISDUGTJYWDYHCV-BPHCLYMKSA-N

DeepSMILES:
CCCCC[C@]C5COC5O)CCC6C))))))))C)))))C

Functional groups:
COC(C)(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2OC(C1)C1CCCC21

Scaffold Graph/Node level:
C1CC2OC(C1)C1CCCC21

Scaffold Graph level:
C1CC2CC(C1)C1CCCC21

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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: Isodaucane sesquiterpenoids

NP-Likeness score: 2.781

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Chemical structure download