Pelianthinarubin A
AlkaPlorer ID: AK326502
Synonym: None
IUPAC Name: [(1S)-1-carboxy-2-[1-[(3S,7R)-3-carboxy-9,10-dioxo-4,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),8(15),11(14)-trien-7-yl]imidazol-4-yl]ethyl]-trimethylazanium
Structure
SMILES: C[N+](C)(C)[C@@H](CC1=CN([C@@H]2CCN3C4=C2C(=O)C(=O)C2=C4C(=CN2)C[C@H]3C(=O)O)C=N1)C(=O)O
InChI: InChI=1S/C23H25N5O6/c1-28(2,3)15(23(33)34)7-12-9-26(10-25-12)13-4-5-27-14(22(31)32)6-11-8-24-18-16(11)19(27)17(13)20(29)21(18)30/h8-10,13-15H,4-7H2,1-3H3,(H2-,24,29,30,31,32,33,34)/p+1/t13-,14+,15+/m1/s1
InChIKey: CUYHMRHBVJBMGH-ILXRZTDVSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycena pelianthina | Mycena | Mycenaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 468.4900000000002
TPSA？: 145.59
MolLogP？: 0.3459000000000017
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | None | None | 10.1021/acs.jnatprod.5b00942 |
| Brevibacillus brevis | Brevibacillus brevis | Activity | None | None | 10.1021/acs.jnatprod.5b00942 |
| Cladosporium cucumerinum | Cladosporium cucumerinum | Activity | None | None | 10.1021/acs.jnatprod.5b00942 |
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/acs.jnatprod.5b00942 |
| Folsomia candida | Folsomia candida | Activity | None | None | 10.1021/acs.jnatprod.5b00942 |
| Lepidium sativum | Lepidium sativum | Activity | None | None | 10.1021/acs.jnatprod.5b00942 |