Summary

IMPPAT Phytochemical identifier: IMPHY013263

Phytochemical name: Friedelane

Synonymous chemical names:
friedelane

External chemical identifiers:
CID:15559345, ChEBI:71575, ZINC:ZINC000059200452, SureChEMBL:SCHEMBL445015

---

Chemical structure information

SMILES:
C[C@H]1CCC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C)C

InChI:
InChI=1S/C30H52/c1-21-10-9-11-22-27(21,5)13-12-23-28(22,6)17-19-30(8)24-20-25(2,3)14-15-26(24,4)16-18-29(23,30)7/h21-24H,9-20H2,1-8H3/t21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1

InChIKey:
KVSNMTUIMXZPLU-XOZXFAFYSA-N

DeepSMILES:
C[C@H]CCC[C@@H][C@]6C)CC[C@H][C@@]6C)CC[C@@][C@]6C)CC[C@@][C@H]6CCCC6))C)C))))C)))))C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

---

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: Friedelane triterpenoids

NP-Likeness score: 2.429

---

Chemical structure download