Zeorinin
| Internal ID | fe18964b-48d4-469b-b2cd-990210c4c5c5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Hopanoids |
| IUPAC Name | (5aR,5bR,7S,7aS,11aR,11bR,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-7-ol |
| SMILES (Canonical) | CC(C)C1=C2CCC3(C(C2(CC1)C)CCC4C3(CC(C5C4(CCCC5(C)C)C)O)C)C |
| SMILES (Isomeric) | CC(C)C1=C2CC[C@@]3([C@@H]([C@]2(CC1)C)CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CCCC5(C)C)C)O)C)C |
| InChI | InChI=1S/C30H50O/c1-19(2)20-12-16-27(5)21(20)13-17-29(7)23(27)10-11-24-28(6)15-9-14-26(3,4)25(28)22(31)18-30(24,29)8/h19,22-25,31H,9-18H2,1-8H3/t22-,23+,24+,25-,27-,28+,29+,30+/m0/s1 |
| InChI Key | ZQDROJRMNNOBCZ-OGSUCJMTSA-N |
| Popularity | 1 reference 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 | 8.70 |
| CHEMBL1094290 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.92% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.07% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.27% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.90% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.56% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.30% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.32% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.53% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.44% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.41% | 92.86% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.84% | 82.69% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.06% | 96.03% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.03% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.87% | 94.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.30% | 92.88% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.01% | 91.79% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.98% | 97.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.25% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.21% | 95.56% |
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.
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| There are no matching plants. |
| PubChem | 46886741 |
| LOTUS | LTS0071516 |
| wikiData | Q77279477 |