2-[[(1R,4aR,4bR,6aR,10S,10aR,10bR,12aR)-10-hydroxy-4b,7,7,10a,12a-pentamethyl-2-methylidene-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-1-yl]methyl]guanidine
| Internal ID | bdb8af35-472d-4c39-9fc1-9c86f18f0612 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | 2-[[(1R,4aR,4bR,6aR,10S,10aR,10bR,12aR)-10-hydroxy-4b,7,7,10a,12a-pentamethyl-2-methylidene-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-1-yl]methyl]guanidine |
| SMILES (Canonical) | CC1(CCC(C2(C1CCC3(C2CCC4(C3CCC(=C)C4CN=C(N)N)C)C)C)O)C |
| SMILES (Isomeric) | C[C@]12CC[C@H]3[C@]([C@@H]1CC[C@@]4([C@@H]2CCC(=C)[C@H]4CN=C(N)N)C)([C@H](CCC3(C)C)O)C |
| InChI | InChI=1S/C26H45N3O/c1-16-7-8-19-24(4,17(16)15-29-22(27)28)13-10-20-25(19,5)14-9-18-23(2,3)12-11-21(30)26(18,20)6/h17-21,30H,1,7-15H2,2-6H3,(H4,27,28,29)/t17-,18-,19+,20-,21+,24+,25-,26-/m1/s1 |
| InChI Key | YFYZOMDKMZGTIY-XBPNYNHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H45N3O |
| Molecular Weight | 415.70 g/mol |
| Exact Mass | 415.35626307 g/mol |
| Topological Polar Surface Area (TPSA) | 84.60 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 2-[[(1R,4aR,4bR,6aR,10S,10aR,10bR,12aR)-10-hydroxy-4b,7,7,10a,12a-pentamethyl-2-methylidene-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-1-yl]methyl]guanidine](https://plantaedb.com/storage/docs/compounds/2023/11/aa08dcb0-84af-11ee-b432-cd6c93ac9e30.jpg "2D Structure of 2-[[(1R,4aR,4bR,6aR,10S,10aR,10bR,12aR)-10-hydroxy-4b,7,7,10a,12a-pentamethyl-2-methylidene-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-1-yl]methyl]guanidine")
| 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 | 96.97% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.49% | 97.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.55% | 91.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.86% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.00% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.49% | 94.45% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.60% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.34% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.09% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.93% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.97% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.01% | 95.58% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.27% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.32% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.26% | 96.43% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.16% | 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.
| There are no matching plants. |
| PubChem | 139586447 |
| LOTUS | LTS0195763 |
| wikiData | Q77506654 |