5a,5b,8,8,11a,13b-Hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-2-ol
| Internal ID | 9af04d71-9ed1-447d-bc41-bbf2b7910fd5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Hopanoids |
| IUPAC Name | 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-2-ol |
| SMILES (Canonical) | CC(=C)C1C2CCC3(C(C2(CC1O)C)CCC4C3(CCC5C4(CCCC5(C)C)C)C)C |
| SMILES (Isomeric) | CC(=C)C1C2CCC3(C(C2(CC1O)C)CCC4C3(CCC5C4(CCCC5(C)C)C)C)C |
| InChI | InChI=1S/C30H50O/c1-19(2)25-20-12-16-29(7)24(28(20,6)18-21(25)31)11-10-23-27(5)15-9-14-26(3,4)22(27)13-17-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3 |
| InChI Key | XSMZUIVIZWTOHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.10 |
| There are no found synonyms. |
![2D Structure of 5a,5b,8,8,11a,13b-Hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/e5dd95c0-86d1-11ee-a1de-937657ec8d73.jpg "2D Structure of 5a,5b,8,8,11a,13b-Hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-2-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.73% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.30% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.00% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.92% | 91.49% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.61% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.07% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.88% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.94% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.03% | 98.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.88% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.67% | 95.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.16% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.77% | 95.89% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 84.30% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.98% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.72% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.47% | 94.45% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.29% | 92.97% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.20% | 91.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.98% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.64% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.54% | 99.18% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.36% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.34% | 98.99% |
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.
| Fossombronia alaskana |
| PubChem | 162941588 |
| LOTUS | LTS0174536 |
| wikiData | Q105341113 |