Cypellocarpa C
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL247486 | |
| PubChem: | 10625791 | |
| IUPAC: | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate | |
| Standard InChI: | InChI=1S/C26H32O11/c1-12-8-16(27)20-17(28)9-15(10-18(20)35-12)36-25-23(31)22(30)21(29)19(37-25)11-34-24(32)13-4-6-14(7-5-13)26(2,3)33/h4,8-10,14,19,21-23,25,28-31,33H,5-7,11H2,1-3H3/t14-,19+,21+,22-,23+,25+/m0/s1 | |
| Standard InChI Key: | OUBDJJFZUQGQLU-ZHFYLPRNSA-N | |
| SMILES: | O[C@@H]1[C@@H](COC(=O)C2=CC[C@@H](CC2)C(O)(C)C)O[C@H]([C@@H]([C@H]1O)O)Oc1cc(O)c2c(c1)oc(cc2=O)C | |
Molecular propeties
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| AlogP: | 1.03 | |
|---|---|---|
| Hydrogen bonds acceptors: | 11 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 4 | |
| Molecular Weight: | 520.19 | |
| Topological polar surface area: | 172 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.538 | |
| Number of carbons: | 26 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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