(11S,17R,19R)-7,15,17,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-9-one
Internal ID | 15a65e3f-08b3-4894-9114-f423b0959f3a |
Taxonomy | Lignans, neolignans and related compounds |
IUPAC Name | (11S,17R,19R)-7,15,17,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-9-one |
SMILES (Canonical) | C1C(C2=C(C=CC3=C2C(=C4C3CC(=O)C5=C4C=CC=C5O)C1O)O)O |
SMILES (Isomeric) | C1[C@H](C2=C(C=CC3=C2C(=C4[C@H]3CC(=O)C5=C4C=CC=C5O)[C@@H]1O)O)O |
InChI | InChI=1S/C20H16O5/c21-11-3-1-2-9-16-10(6-13(23)17(9)11)8-4-5-12(22)19-14(24)7-15(25)20(16)18(8)19/h1-5,10,14-15,21-22,24-25H,6-7H2/t10-,14+,15+/m0/s1 |
InChI Key | PBYZCDIEUANPBF-COLVAYQJSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H16O5 |
Molecular Weight | 336.30 g/mol |
Exact Mass | 336.09977361 g/mol |
Topological Polar Surface Area (TPSA) | 98.00 Ų |
XlogP | 1.00 |
There are no found synonyms. |
![2D Structure of (11S,17R,19R)-7,15,17,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-9-one 2D Structure of (11S,17R,19R)-7,15,17,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/dc1e3230-86c6-11ee-9425-472c52a78295.jpg)
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 | 97.42% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.73% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.97% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.35% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.82% | 99.15% |
CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 91.14% | 91.73% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.31% | 93.03% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.18% | 99.23% |
CHEMBL2535 | P11166 | Glucose transporter | 84.08% | 98.75% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 83.97% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.55% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.69% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.41% | 95.89% |
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.
Garcinia atroviridis |
PubChem | 162915103 |
LOTUS | LTS0131661 |
wikiData | Q105205549 |