Endiandramide A
Representations & DB's id
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| ChEBI: | CHEBI:69315 | |
|---|---|---|
| ChEMBL: | CHEMBL1821987 | |
| PubChem: | 54669853 | |
| IUPAC: | (1S,2S,3R,6R,7R,10S,11S,12S)-2-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)tetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxamide | |
| Standard InChI: | InChI=1S/C26H31NO3/c1-14(2)12-27-26(28)19-5-4-16-11-21-20(18-7-6-17(19)24(16)25(18)21)9-15-3-8-22-23(10-15)30-13-29-22/h3-8,10,14,16-21,24-25H,9,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,21+,24-,25-/m1/s1 | |
| Standard InChI Key: | VJYDYOYYSFAXSI-DLGBIPEUSA-N | |
| SMILES: | CC(CN=C([C@@H]1C=C[C@H]2[C@@H]3[C@H]1C=C[C@H]1[C@@H]3[C@@H](C2)[C@@H]1Cc1ccc2c(c1)OCO2)O)C | |
Molecular propeties
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| AlogP: | 4.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 6 | |
| Molecular Weight: | 405.23 | |
| Topological polar surface area: | 47.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.577 | |
| Number of carbons: | 26 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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