Cyclomorusin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1770313 | |
| PubChem: | 5481969 | |
| IUPAC: | 11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one | |
| Standard InChI: | InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3 | |
| Standard InChI Key: | GDQXJMLXEYSICD-UHFFFAOYSA-N | |
| SMILES: | CC(=CC1Oc2cc(O)ccc2c2c1c(=O)c1c(o2)c2C=CC(Oc2cc1O)(C)C)C | |
Molecular propeties
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| AlogP: | 5.46 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 418.14 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.24 | |
| Number of carbons: | 25 | |