Pelianthinarubin B
AlkaPlorer ID: AK326503
Synonym: None
IUPAC Name: [(1S,2S)-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]-2-hydroxyethyl]-trimethylazanium
Structure
SMILES: C[N+](C)(C)[C@H](C(=O)O)[C@H](O)C1=CN([C@@H]2CCN3C4=C2C(=O)C(=O)C2=C4C(=CN2)C[C@H]3C(=O)O)C=N1
InChI: InChI=1S/C23H25N5O7/c1-28(2,3)18(23(34)35)19(29)11-8-26(9-25-11)12-4-5-27-13(22(32)33)6-10-7-24-16-14(10)17(27)15(12)20(30)21(16)31/h7-9,12-13,18-19,29H,4-6H2,1-3H3,(H2-,24,30,31,32,33,34,35)/p+1/t12-,13+,18+,19-/m1/s1
InChIKey: MQCDIADYTDFLEF-MTZMYHNQSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycena pelianthina | Mycena | Mycenaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 484.48900000000026
TPSA？: 165.82
MolLogP？: -0.1631999999999974
Number of H-Donors: 4
Number of H-Acceptors: 8
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 |