Summary

IMPPAT Phytochemical identifier: IMPHY006729

Phytochemical name: Ginkgolide A, analytical standard

Synonymous chemical names:
ginkgolide a

External chemical identifiers:
CID:6419993, ChEBI:95143

---

Chemical structure information

SMILES:
O=C1O[C@@H]2[C@@]([C@@H]1C)(O)C13C4(C2)[C@H](OC3=O)CC(C24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C

InChI:
InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8?,9-,10+,11+,15+,17?,18?,19-,20?/m1/s1

InChIKey:
FPUXKXIZEIDQKW-NSGKSZPNSA-N

DeepSMILES:
O=CO[C@@H][C@@][C@@H]5C))O)CCC5)[C@H]OC5=O)))CCC5[C@H]O8)OC=O)[C@@H]5O))))))CC)C)C

Functional groups:
CC(=O)OC, CO, COC(C)=O, CO[C@H]1CCC(=O)O1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2C(CC34C5CCC36CC(=O)OC6OC24C(=O)O5)O1

Scaffold Graph/Node level:
OC1CC2C(CC34C5CCC36CC(O)OC6OC24C(O)O5)O1

Scaffold Graph level:
CC1CC2CC34C5CCC36CC(C)CC6CC4(C(C)C5)C2C1

---

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: Prezizaane sesquiterpenoids

NP-Likeness score: 3.248

---

Chemical structure download