Summary

IMPPAT Phytochemical identifier: IMPHY009142

Phytochemical name: Zaluzanin D

Synonymous chemical names:
zaluzanin d

External chemical identifiers:
CID:12445012, ChEMBL:CHEMBL371402, ChEBI:66500, ZINC:ZINC000013585439, FDASRS:96A1V1GV0X

---

Chemical structure information

SMILES:
CC(=O)O[C@H]1C[C@@H]2[C@H](C1=C)[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C

InChI:
InChI=1S/C17H20O4/c1-8-5-6-12-9(2)17(19)21-16(12)15-10(3)14(7-13(8)15)20-11(4)18/h12-16H,1-3,5-7H2,4H3/t12-,13-,14-,15-,16-/m0/s1

InChIKey:
GKMFOEIZCLMZDE-QXKUPLGCSA-N

DeepSMILES:
CC=O)O[C@H]C[C@@H][C@H]C5=C))[C@H]OC=O)C=C)[C@@H]5CCC%10=C

Functional groups:
C=C(C)C, C=C1CCOC1=O, CC(=O)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C1CCC(=C)C1CCC(=C)C12

Scaffold Graph/Node level:
CC1CCC2C(C)C(O)OC2C2C(C)CCC12

Scaffold Graph level:
CC1CC2C(CCC(C)C3CCC(C)C32)C1C

---

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: Guaiane sesquiterpenoids

NP-Likeness score: 3.439

---

Chemical structure download