(1S,3S,6R,7R,8S,9S,10S,11R,12S,13S,16S,17R)-6,9,12-trihydroxy-16-methyl-8-(2-methylpropyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
| Internal ID | 527b423c-e4b5-4334-80c6-82c359f23c3c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones > Ginkgolides and bilobalides |
| IUPAC Name | (1S,3S,6R,7R,8S,9S,10S,11R,12S,13S,16S,17R)-6,9,12-trihydroxy-16-methyl-8-(2-methylpropyl)-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione |
| SMILES (Canonical) | CC1C2C(C(C34C25C(=O)OC3C(C(C46C(C(=O)OC6O5)O)CC(C)C)O)O)OC1=O |
| SMILES (Isomeric) | C[C@H]1[C@@H]2[C@@H]([C@H]([C@@]34[C@]25C(=O)O[C@@H]3[C@H]([C@H]([C@]46[C@H](C(=O)O[C@@H]6O5)O)CC(C)C)O)O)OC1=O |
| InChI | InChI=1S/C20H24O10/c1-5(2)4-7-9(21)13-19-11(22)10-8(6(3)14(24)27-10)20(19,16(26)28-13)30-17-18(7,19)12(23)15(25)29-17/h5-13,17,21-23H,4H2,1-3H3/t6-,7+,8+,9-,10-,11+,12-,13+,17+,18+,19+,20+/m0/s1 |
| InChI Key | CBAUUWCEZZNYTD-OOWJTCQTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O10 |
| Molecular Weight | 424.40 g/mol |
| Exact Mass | 424.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of (1S,3S,6R,7R,8S,9S,10S,11R,12S,13S,16S,17R)-6,9,12-trihydroxy-16-methyl-8-(2-methylpropyl)-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/e97c5850-8706-11ee-a1cf-554208a55a26.jpg "2D Structure of (1S,3S,6R,7R,8S,9S,10S,11R,12S,13S,16S,17R)-6,9,12-trihydroxy-16-methyl-8-(2-methylpropyl)-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 |
|---|---|---|---|---|
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.28% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.25% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.16% | 85.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.42% | 93.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.30% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.20% | 96.38% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.17% | 96.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.50% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.09% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.97% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.68% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.36% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.11% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.97% | 89.00% |
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 | 154496643 |
| LOTUS | LTS0041447 |
| wikiData | Q104952154 |