Gomisin-D
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2386340 | |
| PubChem: | 5317799 | |
| IUPAC: | (11R,12R,15S,24S,25S)-12,25-dihydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1,3(7),8(22),16,18,20-hexaen-13-one | |
| Standard InChI: | InChI=1S/C28H34O10/c1-13-8-15-9-18-22(37-12-36-18)24-19(15)20-16(10-17(32-5)21(33-6)23(20)34-7)25(27(13,3)30)38-26(29)28(4,31)14(2)11-35-24/h9-10,13-14,25,30-31H,8,11-12H2,1-7H3/t13-,14+,25-,27-,28+/m0/s1 | |
| Standard InChI Key: | VLLFEMVDMFTBHG-KMIFWYFFSA-N | |
| SMILES: | COc1c(OC)cc2c(c1OC)c1c3cc4c(c1OC[C@H]([C@@](C(=O)O[C@@H]2[C@@](C)(O)[C@H](C3)C)(C)O)C)OCO4 | |
Molecular propeties
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| AlogP: | 3.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 5 | |
| Molecular Weight: | 530.22 | |
| Topological polar surface area: | 122 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.536 | |
| Number of carbons: | 28 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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