16-Chloro-9,10,11-trihydroxy-9-(hydroxymethyl)-4,5,13,20,20-pentamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one
| Internal ID | 97075892-bb21-43c6-8fdb-d2effd2b7b09 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 16-chloro-9,10,11-trihydroxy-9-(hydroxymethyl)-4,5,13,20,20-pentamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one |
| SMILES (Canonical) | CC1(CCC23CCC4(C5(CCC6C(C5CC(C4(C2C1)OC3=O)Cl)(CC(C(C6(CO)O)O)O)C)C)C)C |
| SMILES (Isomeric) | CC1(CCC23CCC4(C5(CCC6C(C5CC(C4(C2C1)OC3=O)Cl)(CC(C(C6(CO)O)O)O)C)C)C)C |
| InChI | InChI=1S/C29H45ClO6/c1-23(2)8-10-27-11-9-26(5)25(4)7-6-17-24(3,13-16(32)21(33)28(17,35)15-31)18(25)12-20(30)29(26,19(27)14-23)36-22(27)34/h16-21,31-33,35H,6-15H2,1-5H3 |
| InChI Key | VVDVOHROVZWTRE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H45ClO6 |
| Molecular Weight | 525.10 g/mol |
| Exact Mass | 524.2904668 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 16-Chloro-9,10,11-trihydroxy-9-(hydroxymethyl)-4,5,13,20,20-pentamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one](https://plantaedb.com/storage/docs/compounds/2023/11/d1c626c0-82df-11ee-99bd-31320fa155fe.jpg "2D Structure of 16-Chloro-9,10,11-trihydroxy-9-(hydroxymethyl)-4,5,13,20,20-pentamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.86% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.66% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.86% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.38% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.93% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.93% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.94% | 82.69% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.51% | 89.34% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.36% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.07% | 95.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.84% | 95.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.16% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.06% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.30% | 95.89% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 84.59% | 99.29% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.36% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.58% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.04% | 91.07% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.75% | 89.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.16% | 95.93% |
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.
| Actinidia chinensis |
| PubChem | 163025056 |
| LOTUS | LTS0158163 |
| wikiData | Q105297611 |