ginkgolide-B
PubChem CID: 6324617
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| Compound Synonyms | Ginkgolide B, ginkgolide-B, 15291-77-7, Ginkolide B, CHEMBL514432, BN 52021, BN-52021, SMR000544403, Gingkolide B, MFCD05662347, Ginkgolide B,(S), Ginkgolide B from Ginkgo biloba leaves, MLS001216216, MLS006011991, 18 - Potency of Gingko biloba, SCHEMBL12714280, Ginkgolide B, analytical standard, SQOJOAFXDQDRGF-MMQTXUMRSA-N, HMS2864N19, BDBM50251276, AKOS025311549, DB06744, NS00070447, Q27095719, Ginkgolide B from Ginkgo biloba leaves, >=90% (HPLC) |
|---|---|
| Topological Polar Surface Area | 149.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Description | Isolated from Ginkgo biloba (ginkgo). Ginkgolide B is found in ginkgo nuts and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 925.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Uniprot Id | P21556, P25105, P23415, P23416, n.a., P11473, P63092, O42275, P81908, P08236 |
| Iupac Name | (1R,3R,6R,7S,8S,10R,11R,12R,13S,16S,17R)-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 |
| Target Id | NPT274, NPT426, NPT4324, NPT1600 |
| Xlogp | -0.4 |
| Molecular Formula | C20H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQOJOAFXDQDRGF-MMQTXUMRSA-N |
| Fcsp3 | 0.85 |
| Logs | -4.341 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.239 |
| Synonyms | 1-Hydroxy-(1beta)-ginkgolide a, BN52021, Gingko lactone, Ginkgolide A, 1-hydroxy-, (1beta)-, Ginkgolide B, Ginkolide b |
| Compound Name | ginkgolide-B |
| 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 |
| Esol | -2.1658924000000015 |
| 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/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1 |
| Smiles | C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@H]2O)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all