Heronamide F
AlkaPlorer ID: AK031257
Synonym: None
IUPAC Name: (3E,5E,7E,9S,10R,11Z,13E,15E,17E,20R)-20-[(2E,4E)-hexa-2,4-dienyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
Structure
SMILES: C/C=C/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)[C@@H](O)/C=C(C)/C=C/C=C/C(O)=N1
InChI: InChI=1S/C27H35NO3/c1-4-5-6-7-17-24-18-11-8-14-22(2)15-9-12-19-25(29)26(30)21-23(3)16-10-13-20-27(31)28-24/h4-16,19-21,24-26,29-30H,17-18H2,1-3H3,(H,28,31)/b5-4+,7-6+,11-8+,15-9+,16-10+,19-12-,20-13+,22-14+,23-21+/t24-,25-,26+/m1/s1
InChIKey: FFBLFSFSCNGUGS-YGXGVOTQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 421.5810000000001
TPSA？: 73.05
MolLogP？: 5.633000000000007
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
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 | HUVEC | Activity | nan | None | 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 |