Pseudohypericin
Representations & DB's id
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| ChEBI: | CHEBI:8605 | |
|---|---|---|
| ChEMBL: | CHEMBL1614664 | |
| PubChem: | 4978 | |
| IUPAC: | 9,11,13,16,18,20-hexahydroxy-5-(hydroxymethyl)-24-methyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione | |
| Standard InChI: | InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3 | |
| Standard InChI Key: | YXBUQQDFTYOHQI-UHFFFAOYSA-N | |
| SMILES: | OCc1cc(O)c2c3c1c1c(C)cc(c4c1c1c3c3c(C2=O)c(O)cc(c3c2c1c(C4=O)c(O)cc2O)O)O | |
Molecular propeties
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| AlogP: | 4.26 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 8 | |
| Molecular Weight: | 520.08 | |
| Topological polar surface area: | 176 | |
| Number of aromatic rings: | 8 | |
| Fsp3: | 0.067 | |
| Number of carbons: | 30 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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