Gingko lactone
PubChem CID: 65243
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ginkgolide B, 15291-77-7, Ginkolide B, Gingko lactone, BN 52021, GinkgolideB, SR-01000597598, bn52021, Ginklide B, C20H24O10, CHEMBL266625, SCHEMBL14279903, 1-Hydroxy-(1beta)-Ginkgolide A, SQOJOAFXDQDRGF-UHFFFAOYSA-N, 8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione, BCP25992, NSC110257, PDSP1_000734, PDSP2_000724, AKOS015895882, FG10334, NSC-110257, tert-butyl-trihydroxy-methyl-[?]trione, NCGC00025245-01, 1ST10397, AS-56165, DB-043166, L000993, SR-01000597598-1, SR-01000597598-3, 8-TERT-BUTYL-6,12,17-TRIHYDROXY-16-METHYL-2,4,14,19-TETRAOXAHEXACYCLO[8.7.2.0(1),(1)(1).0(3),?.0?,(1)(1).0(1)(3),(1)?]NONADECANE-5,15,18-TRIONE, 99796-69-7 |
|---|---|
| Topological Polar Surface Area | 149.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 925.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Target Id | NPT149, NPT212 |
| Xlogp | -0.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene lactones |
| Molecular Formula | C20H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQOJOAFXDQDRGF-UHFFFAOYSA-N |
| Fcsp3 | 0.85 |
| Logs | -3.51 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 0.686 |
| Synonyms | 1-Hydroxy-(1beta)-ginkgolide a, BN52021, Gingko lactone, Ginkolide b, Ginkgolide b, (1beta)-isomer, Ginkgolide b |
| Compound Name | Gingko lactone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 424.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -2.165892400000001 |
| Inchi | InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3 |
| Smiles | CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Ginkgolides and bilobalides |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients