Summary

IMPPAT Phytochemical identifier: IMPHY002398

Phytochemical name: Maritimin

Synonymous chemical names:
maritimin

Chemical structure information

SMILES:
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@]32O[C@]3(C)CCC1=O)C

InChI:
InChI=1S/C15H20O4/c1-8-9-4-6-13(2)10(16)5-7-14(3)15(13,19-14)11(9)18-12(8)17/h8-9,11H,4-7H2,1-3H3/t8-,9-,11-,13-,14+,15-/m0/s1

InChIKey:
FKWYQLQOMUGIDI-OBRHJWQCSA-N

DeepSMILES:
C[C@@H]C=O)O[C@H][C@H]5CC[C@@][C@@]6O[C@]3C)CCC7=O)))))))C

Functional groups:
CC(C)=O, COC(C)=O, C[C@]1(C)O[C@@]1(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC3C(=O)CCC4OC43C2O1

Scaffold Graph/Node level:
OC1CC2CCC3C(O)CCC4OC43C2O1

Scaffold Graph level:
CC1CC2CCC3C(C)CCC4CC43C2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.819

---

Chemical structure download