Summary

IMPPAT Phytochemical identifier: IMPHY012318

Phytochemical name: Taraxasterin

Synonymous chemical names:
saussurol

External chemical identifiers:
CID:610148

---

Chemical structure information

SMILES:
C=C1CCC2(C(C1C)C1CCC3C(C1(CC2)C)(C)CCC1C3(C)CCC(C1(C)C)O)C

InChI:
InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3

InChIKey:
XWMMEBCFHUKHEX-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6C))CCCCCC6CC%10))C))C)CCCC6C)CCCC6C)C))O))))))))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCC3C(CCC4C5CCCCC5CCC43)C2C1

Scaffold Graph/Node level:
CC1CCC2CCC3C(CCC4C5CCCCC5CCC43)C2C1

Scaffold Graph level:
CC1CCC2CCC3C(CCC4C5CCCCC5CCC43)C2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Ursane and Taraxastane triterpenoids

NP-Likeness score: 3.223

---

Chemical structure download