(1R,3S,6S,7S,8R,9S,10R,11R,12R,13R,16R,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
| Internal ID | 8a493191-500a-4f02-bf19-cf601af48a3f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones > Ginkgolides and bilobalides |
| IUPAC Name | (1R,3S,6S,7S,8R,9S,10R,11R,12R,13R,16R,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione |
| SMILES (Canonical) | CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O |
| SMILES (Isomeric) | 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]([C@@H]5O)C(C)(C)C)[C@@H](C(=O)O[C@@H]6O4)O)O |
| InChI | InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8-,9+,10-,11+,15+,17-,18+,19+,20+/m0/s1 |
| InChI Key | AMOGMTLMADGEOQ-RHWGCCIXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O11 |
| Molecular Weight | 440.40 g/mol |
| Exact Mass | 440.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of (1R,3S,6S,7S,8R,9S,10R,11R,12R,13R,16R,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione](https://plantaedb.com/storage/docs/compounds/2023/11/4742ab00-85ee-11ee-a0b0-8172ffd472af.jpg "2D Structure of (1R,3S,6S,7S,8R,9S,10R,11R,12R,13R,16R,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.64% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.32% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.68% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.55% | 89.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.55% | 96.90% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.01% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.67% | 97.25% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.30% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.23% | 96.77% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Ginkgo biloba |
| PubChem | 137704816 |
| LOTUS | LTS0156994 |
| wikiData | Q104251879 |