Pullularin C
AlkaPlorer ID: AK107130
Synonym: None
IUPAC Name: (3R,6S,9S,12S,15S,18S)-3-benzyl-15-(hydroxymethyl)-6,7,13-trimethyl-9-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-12-propan-2-yl-4-oxa-1,7,10,13,16-pentazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Structure
SMILES: CC(C)=CCOC1=CC=C(C[C@@H]2N=C(O)[C@H](C(C)C)N(C)C(=O)[C@H](CO)N=C(O)[C@@H]3CCCN3C(=O)[C@@H](CC3=CC=CC=C3)OC(=O)[C@H](C)N(C)C2=O)C=C1
InChI: InChI=1S/C41H55N5O9/c1-25(2)19-21-54-30-17-15-29(16-18-30)22-31-38(50)44(6)27(5)41(53)55-34(23-28-12-9-8-10-13-28)40(52)46-20-11-14-33(46)36(48)43-32(24-47)39(51)45(7)35(26(3)4)37(49)42-31/h8-10,12-13,15-19,26-27,31-35,47H,11,14,20-24H2,1-7H3,(H,42,49)(H,43,48)/t27-,31-,32-,33-,34+,35-/m0/s1
InChIKey: USJIVQZWXRFTGT-AHBRDIEGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Dothioraceae | Dothideales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 761.9170000000003
TPSA？: 181.87
MolLogP？: 3.705600000000006
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 50.0 | ug.mL-1 | 10.1016/j.ejmech.2011.12.029 |