Terminamine C
Internal ID | 1314aa01-f7d3-4b7c-8495-a3b141ae4c3e |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 16-hydroxysteroids |
IUPAC Name | [(1R,3S,4R,5R,8S,9S,10S,11R,13S,14S,16S,17S)-1-acetyloxy-17-[(1S)-1-(dimethylamino)ethyl]-4,16-dihydroxy-10,13-dimethyl-3-[(3S)-2-oxo-3-propan-2-ylazetidin-1-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] 3-methylbutanoate |
SMILES (Canonical) | CC(C)CC(=O)OC1CC2(C(CC(C2C(C)N(C)C)O)C3C1C4(C(CC3)C(C(CC4OC(=O)C)N5CC(C5=O)C(C)C)O)C)C |
SMILES (Isomeric) | C[C@@H]([C@H]1[C@H](C[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC[C@@H]4[C@@]3([C@@H](C[C@@H]([C@@H]4O)N5C[C@@H](C5=O)C(C)C)OC(=O)C)C)OC(=O)CC(C)C)C)O)N(C)C |
InChI | InChI=1S/C36H60N2O7/c1-18(2)13-30(41)45-28-16-35(7)25(14-27(40)31(35)20(5)37(9)10)22-11-12-24-33(42)26(38-17-23(19(3)4)34(38)43)15-29(44-21(6)39)36(24,8)32(22)28/h18-20,22-29,31-33,40,42H,11-17H2,1-10H3/t20-,22-,23+,24-,25-,26-,27-,28+,29+,31-,32+,33+,35-,36+/m0/s1 |
InChI Key | SUPKERYLYKAVRS-KIYBVETFSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C36H60N2O7 |
Molecular Weight | 632.90 g/mol |
Exact Mass | 632.44005226 g/mol |
Topological Polar Surface Area (TPSA) | 117.00 Ų |
XlogP | 4.90 |
There are no found synonyms. |

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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.75% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.69% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 98.70% | 98.95% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.36% | 90.17% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.76% | 95.89% |
CHEMBL1871 | P10275 | Androgen Receptor | 92.29% | 96.43% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.93% | 96.77% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.91% | 93.00% |
CHEMBL204 | P00734 | Thrombin | 89.99% | 96.01% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.91% | 94.45% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.35% | 91.19% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.30% | 82.69% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.02% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.99% | 95.89% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.98% | 90.08% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.24% | 94.33% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.53% | 96.38% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.95% | 97.14% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.79% | 100.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.10% | 95.93% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.09% | 93.04% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.59% | 95.56% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.20% | 97.50% |
CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.84% | 95.36% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.79% | 89.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.51% | 91.03% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.12% | 100.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.95% | 89.50% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.69% | 94.78% |
CHEMBL5028 | O14672 | ADAM10 | 80.67% | 97.50% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.66% | 90.71% |
CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 80.51% | 94.50% |
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.
Pachysandra terminalis |
PubChem | 70697321 |
NPASS | NPC470594 |
ChEMBL | CHEMBL2087201 |
LOTUS | LTS0214304 |
wikiData | Q105261246 |