Plectosphaeroic acid A
AlkaPlorer ID: AK074059
Synonym: None
IUPAC Name: 2-amino-8-[(1R,4S,7S,8S,9R)-8-hydroxy-4-(hydroxymethyl)-9-(1H-indol-3-yl)-5-methyl-4,7-bis(methylsulfanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-16-yl]-3-oxophenoxazine-1,9-dicarboxylic acid
Structure
SMILES: CS[C@@]1(CO)C(=O)N2[C@H]3N(C4=CC=C5OC6=CC(=O)C(N)=C(C(=O)O)C6=NC5=C4C(=O)O)C4=CC=CC=C4[C@@]3(C3=CNC4=CC=CC=C34)[C@H](O)[C@]2(SC)C(=O)N1C
InChI: InChI=1S/C39H32N6O10S2/c1-43-36(54)39(57-3)33(52)38(19-15-41-20-10-6-4-8-17(19)20)18-9-5-7-11-21(18)44(34(38)45(39)35(53)37(43,16-46)56-2)22-12-13-24-29(26(22)31(48)49)42-30-25(55-24)14-23(47)28(40)27(30)32(50)51/h4-15,33-34,41,46,52H,16,40H2,1-3H3,(H,48,49)(H,50,51)/t33-,34+,37-,38+,39-/m0/s1
InChIKey: QGERAYAMQHFSHY-IXHQRXDZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plectosphaerella cucumerina | Plectosphaerella | Plectosphaerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 808.8510000000001
TPSA？: 243.83
MolLogP？: 3.3026000000000018
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|