Hypericin
Representations & DB's id
| ||
| ChEBI: | CHEBI:5835 | |
|---|---|---|
| ChEMBL: | CHEMBL286494 | |
| PubChem: | 3663 | |
| IUPAC: | 9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[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/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3 | |
| Standard InChI Key: | BTXNYTINYBABQR-UHFFFAOYSA-N | |
| SMILES: | Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O | |
Molecular propeties
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| AlogP: | 5.08 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 8 | |
| Molecular Weight: | 504.08 | |
| Topological polar surface area: | 156 | |
| Number of aromatic rings: | 8 | |
| Fsp3: | 0.067 | |
| Number of carbons: | 30 | |