Summary

IMPPAT Phytochemical identifier: IMPHY000344

Phytochemical name: Annosquamosin F

Synonymous chemical names:
annosquamosin f, annosquamosin f (16beta-hydroxy-17-acetoxy-18-nor-ent-kauran-4beta-hydroperoxide)

External chemical identifiers:
CID:11024959, ZINC:ZINC000095909506

---

Chemical structure information

SMILES:
OO[C@@]1(C)CCC[C@@]2([C@@H]1CC[C@]13[C@H]2CC[C@H](C1)[C@](C3)(O)COC(=O)C)C

InChI:
InChI=1S/C21H34O5/c1-14(22)25-13-21(23)12-20-10-7-16-18(2,8-4-9-19(16,3)26-24)17(20)6-5-15(21)11-20/h15-17,23-24H,4-13H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1

InChIKey:
RILAGXHYBRNHMH-SRWWVFQWSA-N

DeepSMILES:
OO[C@@]C)CCC[C@@][C@@H]6CC[C@][C@H]6CC[C@H]C6)[C@]C7)O)COC=O)C)))))))))))))C

Functional groups:
CO, COC(C)=O, COO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Norkaurane diterpenoids

NP-Likeness score: 3.448

---

Chemical structure download