Nodulisporic Acid C2
AlkaPlorer ID: AK322152
Synonym: None
IUPAC Name: 3-[6,26-dihydroxy-2,3,10,22,22,24,24-heptamethyl-28-(3-methylbut-2-enyl)-7,23-dioxa-30-azaoctacyclo[14.14.0.02,14.03,11.06,10.017,29.019,27.020,25]triaconta-1(16),17,19(27),20,28-pentaen-8-yl]-3-hydroxy-2-methylpropanoic acid
Structure
SMILES: CC(C)=CCC1=C2NC3=C(CC4CCC5C6(C)CC(C(O)C(C)C(=O)O)OC6(O)CCC5(C)C34C)C2=CC2=C1C(O)C1C2=CC(C)(C)OC1(C)C
InChI: InChI=1S/C43H59NO7/c1-21(2)11-13-24-31-25(28-19-38(4,5)51-39(6,7)32(28)35(31)46)18-26-27-17-23-12-14-30-40(8,42(23,10)36(27)44-33(24)26)15-16-43(49)41(30,9)20-29(50-43)34(45)22(3)37(47)48/h11,18-19,22-23,29-30,32,34-35,44-46,49H,12-17,20H2,1-10H3,(H,47,48)
InChIKey: RJBBYXNTYMCJHA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nodulisporium sp. | Nodulisporium | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 701.9450000000002
TPSA？: 132.24
MolLogP？: 7.516100000000011
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|