Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018314

Phytochemical name: Santalol (alpha and beta)

Synonymous chemical names:
Santalol (alpha and beta)

External chemical identifiers:
CID:CID_24832101

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Chemical structure information

SMILES:
OC/C(=C\CC[C@]1(C)C2C[C@@H]3C1(C)C3C2)/C.OC/C(=C\CC[C@]1(C)[C@H]2CC[C@@H](C1=C)C2)/C

InChI:
InChI=1S/2C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3;1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,11-13,16H,4,6-9H2,1-3H3;5,13-14,16H,2,4,6-10H2,1,3H3/b10-5-;11-5-/t11?,12-,13?,14+,15?;13-,14+,15+/m01/s1

InChIKey:
MDCTURIGCBTRQI-DUVCVOTCSA-N

DeepSMILES:
OC/C=C\CC[C@]C)CC[C@@H]C5C)C3C6))))))))))/C.OC/C=C\CC[C@]C)[C@H]CC[C@@H]C6=C))C5)))))))))/C

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

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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: Triterpenoids

NP Classifier Class: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 2.563

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Chemical structure download