Pneumocandin A0; 1'',2'',10,11-Tetradeoxy
AlkaPlorer ID: AK310795
Synonym: Pneumocandin A4
IUPAC Name: N-[3-(3-amino-1-hydroxy-3-oxopropyl)-11,25-dihydroxy-15-(1-hydroxyethyl)-6-[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)NC1CCCNC(=O)C2C(O)C(C)CN2C(=O)C(C(O)CC(N)=O)NC(=O)C(CCC2=CC=C(O)C=C2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
InChI: InChI=1S/C51H82N8O13/c1-6-29(2)24-30(3)14-11-9-7-8-10-12-16-41(65)54-36-15-13-23-53-49(70)44-45(66)31(4)27-59(44)51(72)43(39(63)26-40(52)64)57-47(68)37(22-19-33-17-20-34(61)21-18-33)55-48(69)38-25-35(62)28-58(38)50(71)42(32(5)60)56-46(36)67/h17-18,20-21,29-32,35-39,42-45,60-63,66H,6-16,19,22-28H2,1-5H3,(H2,52,64)(H,53,70)(H,54,65)(H,55,69)(H,56,67)(H,57,68)
InChIKey: XYZCJMODJVDCJD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glarea lozoyensis | Glarea | Helotiaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1015.26
TPSA？: 330.36
MolLogP？: 0.1538000000000098
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|