Summary

IMPPAT Phytochemical identifier: IMPHY007366

Phytochemical name: alpha-Santalene

Synonymous chemical names:
alpha santalene, alpha-santalene, alpha.-santalene, santalene, santalene*, santalene,alpha-, α-santalene, α-santalone

External chemical identifiers:
CID:94164, SureChEMBL:SCHEMBL2184210

---

Chemical structure information

SMILES:
CC(=CCCC1(C)C2CC3C1(C)C3C2)C

InChI:
InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3

InChIKey:
KWFJIXPIFLVMPM-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC)CCCC5C)C3C6))))))))))C

Functional groups:
CC=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3C1C3C2

Scaffold Graph/Node level:
C1C2CC3C1C3C2

Scaffold Graph level:
C1C2CC3C1C3C2

---

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: 3.1

---

Chemical structure download