Gnidilatin
Internal ID | ac685eef-f7fc-40ee-b129-59274e9041bf |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
IUPAC Name | [(1R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] benzoate |
SMILES (Canonical) | CCCCCCCCCC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO |
SMILES (Isomeric) | CCCCCCCCC[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6(C([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO |
InChI | InChI=1S/C37H48O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h12-14,16-17,19,23,25-26,28-30,32,38,41-42H,2,6-11,15,18,20H2,1,3-5H3/t23-,25?,26+,28-,29+,30-,32-,33+,34-,35-,36+,37+/m1/s1 |
InChI Key | MAKBJYBPYTYDBJ-FHKUGACWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C37H48O10 |
Molecular Weight | 652.80 g/mol |
Exact Mass | 652.32474772 g/mol |
Topological Polar Surface Area (TPSA) | 144.00 Ų |
XlogP | 5.80 |
Gnidilatin |
NSC-266489 |
GNIDIA LATIFOLIA B644130K211 |
DTXSID10975614 |
NSC266489 |
5,5a-Dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-nonyl-6-oxo-10a-(prop-1-en-2-yl)-3a,3c,4a,5,5a,6,8a,9,10,10a-decahydro-2H,3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl benzoate |

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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 98.32% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.81% | 86.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.59% | 91.11% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 95.15% | 97.79% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.94% | 90.17% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.43% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.84% | 96.09% |
CHEMBL299 | P17252 | Protein kinase C alpha | 92.81% | 98.03% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.97% | 99.17% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.67% | 83.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.59% | 95.56% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.72% | 83.82% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.40% | 99.23% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.52% | 96.95% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.09% | 94.62% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.06% | 85.94% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.83% | 92.08% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.50% | 94.73% |
CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.08% | 87.67% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.28% | 96.90% |
CHEMBL5028 | O14672 | ADAM10 | 80.12% | 97.50% |
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.
Lasiosiphon kraussianus |
PubChem | 320169 |
LOTUS | LTS0186260 |
wikiData | Q105160388 |