Summary

IMPPAT Phytochemical identifier: IMPHY009869

Phytochemical name: 4alpha-Methyl-24-ethylcholesta-7,24-dienol

Synonymous chemical names:
4α-methyl-24-ethylcholesta-7,24-dienol

External chemical identifiers:
CID:66727568, SureChEMBL:SCHEMBL568503

---

Chemical structure information

SMILES:
CCC(=C(CO)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CCC2[C@]1(C)CCC[C@H]2C)C

InChI:
InChI=1S/C30H50O/c1-7-23(22(4)19-31)11-10-21(3)26-14-15-27-24-12-13-25-20(2)9-8-17-29(25,5)28(24)16-18-30(26,27)6/h12,20-21,25-28,31H,7-11,13-19H2,1-6H3/t20-,21-,25?,26-,27+,28+,29+,30-/m1/s1

InChIKey:
UJPWEHSKEFQHKM-IBZAAMGASA-N

DeepSMILES:
CCC=CCO))C))CC[C@H][C@H]CC[C@@H][C@]5C)CC[C@H]C6=CCC[C@]6C)CCC[C@H]6C))))))))))))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCC3CCC2C2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Stigmastanes and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Stigmastane steroids

NP-Likeness score: 2.61

---

Chemical structure download