Pneumocandin A0; 1''-Deoxy
AlkaPlorer ID: AK310793
Synonym: Pneumocandin A1
IUPAC Name: N-[3-(3-amino-1-hydroxy-3-oxopropyl)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
Structure
SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(O)CC(N)=O)NC(=O)C(CC(O)C2=CC=C(O)C=C2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
InChI: InChI=1S/C51H82N8O16/c1-6-26(2)19-27(3)13-11-9-7-8-10-12-14-40(67)53-33-22-38(65)48(72)57-49(73)43-44(68)28(4)24-59(43)51(75)42(37(64)23-39(52)66)56-46(70)34(21-36(63)30-15-17-31(61)18-16-30)54-47(71)35-20-32(62)25-58(35)50(74)41(29(5)60)55-45(33)69/h15-18,26-29,32-38,41-44,48,60-65,68,72H,6-14,19-25H2,1-5H3,(H2,52,66)(H,53,67)(H,54,71)(H,55,69)(H,56,70)(H,57,73)
InChIKey: QHYUKZZCYGMWMK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glarea lozoyensis | Glarea | Helotiaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1063.257
TPSA？: 391.05
MolLogP？: -2.0660999999999947
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|