Summary

IMPPAT Phytochemical identifier: IMPHY014314

Phytochemical name: 24,24-Dimethyllanosta-9(11),25-dien-3-one

Synonymous chemical names:
24,24-dimethyllanosta-9(11),25-dien-3-one

External chemical identifiers:
CID:14589226, ChEMBL:CHEMBL2059286, ZINC:ZINC000034326993

---

Chemical structure information

SMILES:
C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)CCC(C(=C)C)(C)C

InChI:
InChI=1S/C32H52O/c1-21(2)28(4,5)17-13-22(3)23-14-19-32(10)25-11-12-26-29(6,7)27(33)16-18-30(26,8)24(25)15-20-31(23,32)9/h15,22-23,25-26H,1,11-14,16-20H2,2-10H3/t22-,23-,25-,26+,30-,31-,32+/m1/s1

InChIKey:
XLPUJQBSABTDNL-FATXZUKSSA-N

DeepSMILES:
C[C@@H][C@H]CC[C@@][C@]5C)CC=C[C@H]6CC[C@@H][C@]6C)CCC=O)C6C)C))))))))))))))C)))))CCCC=C)C))C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CCC4CCCC4C3CCC2C1

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: Steroids and steroid derivatives

ClassyFire Subclass: Ergostane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 3.19

---

Chemical structure download