Summary

IMPPAT Phytochemical identifier: IMPHY012699

Phytochemical name: Butyrospermone

Synonymous chemical names:
butyrospermone

External chemical identifiers:
CID:4205159

---

Chemical structure information

SMILES:
CC(=CCCC(C1CCC2(C1(C)CCC1C2=CCC2C1(C)CCC(=O)C2(C)C)C)C)C

InChI:
InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25H,9,11,13-19H2,1-8H3

InChIKey:
QQWIMVRGPKFDGM-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCCCCC5C)CCCC6=CCCC6C)CCC=O)C6C)C))))))))))))))C)))))C)))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(CC=C3C4CCCC4CCC32)C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)C1

---

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: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 3.57

---

Chemical structure download