(1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-3,7,12-trimethyl-13-prop-1-en-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
Internal ID | 01b5c5a7-ef43-4b37-a12f-a185e599a3fa |
Taxonomy | Organoheterocyclic compounds > Furofurans |
IUPAC Name | (1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-3,7,12-trimethyl-13-prop-1-en-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione |
SMILES (Canonical) | CC1=CC2C3C(CC4(C(=O)C=C1O4)C)OC(C3(C(=O)O2)C)(C(=C)C)O |
SMILES (Isomeric) | C/C/1=C/[C@H]2[C@H]3[C@H](C[C@@]4(C(=O)C=C1O4)C)O[C@@]([C@]3(C(=O)O2)C)(C(=C)C)O |
InChI | InChI=1S/C19H22O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,12-13,15,22H,1,8H2,2-5H3/b10-6-/t12-,13-,15-,17+,18+,19+/m0/s1 |
InChI Key | YEIAHHGCPUIGOQ-CTTWEULISA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H22O6 |
Molecular Weight | 346.40 g/mol |
Exact Mass | 346.14163842 g/mol |
Topological Polar Surface Area (TPSA) | 82.10 Ų |
XlogP | 1.40 |
There are no found synonyms. |
![2D Structure of (1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-3,7,12-trimethyl-13-prop-1-en-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione 2D Structure of (1S,3R,7Z,9S,12S,13R,15R)-13-hydroxy-3,7,12-trimethyl-13-prop-1-en-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a894e540-8561-11ee-b248-7920a48eaae6.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 | 95.64% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.43% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.03% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.11% | 95.56% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.07% | 94.75% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.98% | 100.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.55% | 92.94% |
CHEMBL1871 | P10275 | Androgen Receptor | 85.49% | 96.43% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.99% | 89.00% |
CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.90% | 86.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.68% | 94.00% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.57% | 90.93% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.47% | 97.25% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.38% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.35% | 95.89% |
CHEMBL2581 | P07339 | Cathepsin D | 83.23% | 98.95% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.50% | 96.61% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.33% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.24% | 97.09% |
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.
Eremanthus elaeagnus |
Eremanthus goyazensis |
Paralychnophora bicolor |
Piptolepis leptospermoides |
PubChem | 163003287 |
LOTUS | LTS0141350 |
wikiData | Q105347248 |