Pullularin A
AlkaPlorer ID: AK311643
Synonym: None
IUPAC Name: 3-benzyl-12-butan-2-yl-15-(hydroxymethyl)-6,7,13-trimethyl-9-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-4-oxa-1,7,10,13,16-pentazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Structure
SMILES: CCC(C)C1C(O)=NC(CC2=CC=C(OCC=C(C)C)C=C2)C(=O)N(C)C(C)C(=O)OC(CC2=CC=CC=C2)C(=O)N2CCCC2C(O)=NC(CO)C(=O)N1C
InChI: InChI=1S/C42H57N5O9/c1-8-27(4)36-38(50)43-32(23-30-16-18-31(19-17-30)55-22-20-26(2)3)39(51)45(6)28(5)42(54)56-35(24-29-13-10-9-11-14-29)41(53)47-21-12-15-34(47)37(49)44-33(25-48)40(52)46(36)7/h9-11,13-14,16-20,27-28,32-36,48H,8,12,15,21-25H2,1-7H3,(H,43,50)(H,44,49)
InChIKey: BUMLCRVQYPLJEH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Dothioraceae | Dothideales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 775.944
TPSA？: 181.87000000000003
MolLogP？: 4.095700000000004
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|