(3R)-3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid
Internal ID | ef06454e-52f4-474d-a2dd-b97aeab6cba5 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
IUPAC Name | (3R)-3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid |
SMILES (Canonical) | CC1C(OC2=C(C1=O)C(=C3C=CC(OC3=C2C(CC(=O)O)C4=CC=CC=C4)(C)C)O)C |
SMILES (Isomeric) | C[C@H]1[C@H](OC2=C(C1=O)C(=C3C=CC(OC3=C2[C@H](CC(=O)O)C4=CC=CC=C4)(C)C)O)C |
InChI | InChI=1S/C25H26O6/c1-13-14(2)30-24-19(17(12-18(26)27)15-8-6-5-7-9-15)23-16(10-11-25(3,4)31-23)22(29)20(24)21(13)28/h5-11,13-14,17,29H,12H2,1-4H3,(H,26,27)/t13-,14+,17+/m0/s1 |
InChI Key | CEJSYHIZUAMEQV-JJRVBVJISA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H26O6 |
Molecular Weight | 422.50 g/mol |
Exact Mass | 422.17293854 g/mol |
Topological Polar Surface Area (TPSA) | 93.10 Ų |
XlogP | 4.70 |
There are no found synonyms. |
![2D Structure of (3R)-3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid 2D Structure of (3R)-3-[(7S,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3a67a750-8697-11ee-8559-0351cd883ef9.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 | 98.79% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.57% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.25% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.19% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.77% | 85.14% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.43% | 90.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.37% | 99.23% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.82% | 89.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.03% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.11% | 99.15% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.08% | 94.62% |
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.
Calophyllum membranaceum |
PubChem | 38349892 |
LOTUS | LTS0099891 |
wikiData | Q104955748 |