(1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11-diol
| Internal ID | fd584720-d395-4b96-a24d-16be3649f267 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11-diol |
| SMILES (Canonical) | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(CC(C5(C)C)O)O)C)C)C |
| SMILES (Isomeric) | CC(=C)[C@@H]1CC[C@]2([C@@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H](C[C@@H](C5(C)C)O)O)C)C)C |
| InChI | InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,24+,25-,27+,28+,29+,30-/m0/s1 |
| InChI Key | SWEUJTWPRYKNNX-ZDHIJBLESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.90 |
| There are no found synonyms. |
![2D Structure of (1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11-diol](https://plantaedb.com/storage/docs/compounds/2023/11/93ac7c40-857e-11ee-890a-9308d5d634cf.jpg "2D Structure of (1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11-diol")
| 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 | 96.32% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.95% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.71% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.00% | 96.38% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 89.91% | 97.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.78% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.49% | 96.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.44% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.20% | 94.45% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.46% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.14% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.69% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.60% | 97.79% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.28% | 97.93% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.35% | 92.86% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.75% | 95.58% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.89% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.14% | 94.75% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.99% | 98.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.81% | 93.04% |
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.
| Glochidion hohenackeri |
| PubChem | 160954446 |
| LOTUS | LTS0126609 |
| wikiData | Q105262622 |