Securinega Amamine D
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL250641 | |
| PubChem: | 24762835 | |
| IUPAC: | (1S,2S,4S,9S)-4-methoxy-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one | |
| Standard InChI: | InChI=1S/C14H17NO4/c1-17-10-4-5-15-12(7-10)14-8-11(19-15)3-2-9(14)6-13(16)18-14/h2-3,6,10-12H,4-5,7-8H2,1H3/t10-,11+,12-,14-/m0/s1 | |
| Standard InChI Key: | RYGVDBGZIQLYCQ-OPDFLTKYSA-N | |
| SMILES: | CO[C@H]1CCN2[C@@H](C1)[C@]13OC(=O)C=C3C=C[C@@H](O2)C1 | |
Molecular propeties
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| AlogP: | 0.96 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 263.12 | |
| Topological polar surface area: | 48 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.643 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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