Pullularin A; 3-Deoxy
AlkaPlorer ID: AK311644
Synonym: Pullularin D
IUPAC Name: 3-benzyl-12-butan-2-yl-6,7,13,15-tetramethyl-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(C)C(=O)N1C
InChI: InChI=1S/C42H57N5O8/c1-9-27(4)36-38(49)44-33(24-31-17-19-32(20-18-31)54-23-21-26(2)3)40(51)45(7)29(6)42(53)55-35(25-30-14-11-10-12-15-30)41(52)47-22-13-16-34(47)37(48)43-28(5)39(50)46(36)8/h10-12,14-15,17-21,27-29,33-36H,9,13,16,22-25H2,1-8H3,(H,43,48)(H,44,49)
InChIKey: QETFLADPCPUPIM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Dothioraceae | Dothideales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 759.9449999999999
TPSA？: 161.64000000000004
MolLogP？: 5.123300000000005
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|