Summary

IMPPAT Phytochemical identifier: IMPHY005838

Phytochemical name: Saussurea lactone

Synonymous chemical names:
saussurea lactone

External chemical identifiers:
CID:556963

---

Chemical structure information

SMILES:
C=CC1(C)CCC2C(C1C(=C)C)OC(=O)C2C

InChI:
InChI=1S/C15H22O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,10-13H,1-2,7-8H2,3-5H3

InChIKey:
LMNJALUUIMXUQQ-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCCCC6C=C)C)))OC=O)C5C

Functional groups:
C=C(C)C, C=CC, COC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2O1

Scaffold Graph/Node level:
OC1CC2CCCCC2O1

Scaffold Graph level:
CC1CC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Elemane sesquiterpenoids

NP-Likeness score: 3.104

---

Chemical structure download