Plectosphaeroic acid C
AlkaPlorer ID: AK074068
Synonym: None
IUPAC Name: 2-amino-8-[(1S,2S,3R,11R,14S)-2-hydroxy-14-(hydroxymethyl)-3-(1H-indol-3-yl)-19-methyl-13,18-dioxo-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-trien-10-yl]-3-oxophenoxazine-1,9-dicarboxylic acid
Structure
SMILES: CN1C(=O)[C@]23SSS[C@@]1(CO)C(=O)N2[C@H]1N(C2=CC=C4OC5=CC(=O)C(N)=C(C(=O)O)C5=NC4=C2C(=O)O)C2=CC=CC=C2[C@@]1(C1=CNC2=CC=CC=C12)[C@@H]3O
InChI: InChI=1S/C37H26N6O10S3/c1-41-34(52)37-31(50)36(17-13-39-18-8-4-2-6-15(17)18)16-7-3-5-9-19(16)42(32(36)43(37)33(51)35(41,14-44)54-56-55-37)20-10-11-22-27(24(20)29(46)47)40-28-23(53-22)12-21(45)26(38)25(28)30(48)49/h2-13,31-32,39,44,50H,14,38H2,1H3,(H,46,47)(H,48,49)/t31-,32+,35-,36+,37-/m0/s1
InChIKey: XOHSXHXUGXCMGR-KEGJJBSFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plectosphaerella cucumerina | Plectosphaerella | Plectosphaerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 810.8480000000002
TPSA？: 243.83
MolLogP？: 3.619800000000001
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|