Summary

IMPPAT Phytochemical identifier: IMPHY013486

Phytochemical name: 24-Methylcholesta-7,22-dien-3beta-ol

Synonymous chemical names:
24-methylcholesta-7,22-dien-3beta-ol

External chemical identifiers:
CID:54239392

---

Chemical structure information

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

InChI:
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/t19?,20-,21?,22+,24-,25+,26+,27+,28-/m1/s1

InChIKey:
QOXPZVASXWSKKU-JYDNDKMDSA-N

DeepSMILES:
O[C@H]CC[C@]CC6)CC=C[C@@H]6CC[C@][C@H]6CC[C@@H]5[C@@H]C=CCCC)C))C))))C))))))C)))))))))C

Functional groups:
CC=C(C)C, CC=CC, 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: Ergostane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Cholestane steroids, Ergostane steroids

NP-Likeness score: 2.888

---

Chemical structure download