Heronamide
AlkaPlorer ID: AK320001
Synonym: None
IUPAC Name: (1S,2E,4E,6R,9R,11R,12E,14E,16R,19R,20S)-9-[(2E,4E)-hexa-2,4-dienyl]-19,20-dihydroxy-2,14-dimethyl-8-azatricyclo[14.4.0.06,11]icosa-2,4,12,14,17-pentaen-7-one
Structure
SMILES: C/C=C/C=C/C[C@@H]1C[C@@H]2/C=C/C(C)=C/[C@H]3C=C[C@@H](O)[C@@H](O)[C@@H]3/C(C)=C/C=C/[C@H]2C(O)=N1
InChI: InChI=1S/C27H35NO3/c1-4-5-6-7-10-22-17-20-13-12-18(2)16-21-14-15-24(29)26(30)25(21)19(3)9-8-11-23(20)27(31)28-22/h4-9,11-16,20-26,29-30H,10,17H2,1-3H3,(H,28,31)/b5-4+,7-6+,11-8+,13-12+,18-16+,19-9+/t20-,21+,22+,23+,24+,25+,26+/m0/s1
InChIKey: UIBDXMJAGQYGAG-NYBNEGNOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 421.5810000000001
TPSA？: 73.05
MolLogP？: 5.012600000000004
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |
| Bacillus thuringiensis | Bacillus thuringiensis | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |
| Candida albicans | Candida albicans | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1021/np400665a |
| Homo sapiens | NCI-H460 | IC50 | 100000.0 | nM | 10.1021/np400665a |
| Homo sapiens | SF-268 | IC50 | 100000.0 | nM | 10.1021/np400665a |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 128.0 | ug.mL-1 | 10.1021/np400665a |
| None | Radical scavenging activity | Activity | nan | None | 10.1021/np400665a |