Pneumocandin A0; 1'',2'',11-Trideoxy
AlkaPlorer ID: AK310796
Synonym: Pneumocandin A3
IUPAC Name: N-[3-(3-amino-1-hydroxy-3-oxopropyl)-11,21,25-trihydroxy-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)NC1CCC(O)NC(=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/C51H82N8O14/c1-6-28(2)23-29(3)13-11-9-7-8-10-12-14-40(65)53-35-21-22-41(66)55-49(71)44-45(67)30(4)26-59(44)51(73)43(38(63)25-39(52)64)57-47(69)36(20-17-32-15-18-33(61)19-16-32)54-48(70)37-24-34(62)27-58(37)50(72)42(31(5)60)56-46(35)68/h15-16,18-19,28-31,34-38,41-45,60-63,66-67H,6-14,17,20-27H2,1-5H3,(H2,52,64)(H,53,65)(H,54,70)(H,55,71)(H,56,68)(H,57,69)
InChIKey: PVPPXJJCHCIYGN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glarea lozoyensis | Glarea | Helotiaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1031.2589999999998
TPSA？: 350.59
MolLogP？: -0.5277999999999905
Number of H-Donors: 12
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|