Kallolide A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL480278 | |
| PubChem: | 394352 | |
| IUPAC: | (2R,3R,9S,10S)-10-hydroxy-12-methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-5-one | |
| Standard InChI: | InChI=1S/C20H24O4/c1-10(2)14-7-6-13-9-16(24-20(13)22)17(11(3)4)15-8-12(5)19(23-15)18(14)21/h8-9,14,16-18,21H,1,3,6-7H2,2,4-5H3/t14-,16+,17-,18-/m0/s1 | |
| Standard InChI Key: | FUKVJHCKIJOHPW-RANZSIQMSA-N | |
| SMILES: | CC(=C)[C@@H]1[C@@H]2OC(=O)C(=C2)CC[C@H]([C@@H](c2oc1cc2C)O)C(=C)C | |
Molecular propeties
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| AlogP: | 4.12 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 328.17 | |
| Topological polar surface area: | 59.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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