Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018083

Phytochemical name: Sandal

Synonymous chemical names:
Sandal

External chemical identifiers:
CID:CID_6857559

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Chemical structure information

SMILES:
OC/C(=C\CC[C@]1(C)C2CC3C1(C)C3C2)/C

InChI:
InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12?,13?,14-,15?/m1/s1

InChIKey:
PDEQKAVEYSOLJX-WTFAMLOTSA-N

DeepSMILES:
OC/C=C\CC[C@]C)CCCC5C)C3C6))))))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3C1C3C2

Scaffold Graph/Node level:
C1C2CC3C1C3C2

Scaffold Graph level:
C1C2CC3C1C3C2

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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, Monoterpenoids

NP Classifier Class: Camphane monoterpenoids, Santalane sesquiterpenoids

NP-Likeness score: 3.408

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Chemical structure download