(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(3R,5S)-5-(2-methylprop-1-enyl)oxolan-3-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | dc50574a-af57-4206-b5ac-6de0efbdae36 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(3R,5S)-5-(2-methylprop-1-enyl)oxolan-3-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O2/c1-19(2)15-21-16-20(17-32-21)22-9-11-28(6)24-8-7-23-26(3,4)25(31)10-12-29(23)18-30(24,29)14-13-27(22,28)5/h15,20-25,31H,7-14,16-18H2,1-6H3/t20-,21+,22+,23-,24-,25-,27+,28-,29+,30-/m0/s1 |
| InChI Key | BIFGPDNFJKLAJC-SRFRYMCVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(3R,5S)-5-(2-methylprop-1-enyl)oxolan-3-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/79a0fcc0-85a5-11ee-8bd8-33fc00b2aace.jpg "2D Structure of (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(3R,5S)-5-(2-methylprop-1-enyl)oxolan-3-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.10% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.10% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.17% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.36% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.01% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.94% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.92% | 89.05% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.01% | 95.58% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.79% | 96.77% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.69% | 97.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.33% | 92.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.66% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.45% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.80% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.67% | 94.45% |
| CHEMBL204 | P00734 | Thrombin | 80.95% | 96.01% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.73% | 99.17% |
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.
| Monocyclanthus vignei |
| PubChem | 101637215 |
| LOTUS | LTS0086158 |
| wikiData | Q104936427 |