Nodulisporic Acid C1
AlkaPlorer ID: AK322430
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]-2-methylprop-2-enoic acid
Structure
SMILES: CC(C)=CCC1=C2NC3=C(CC4CCC5C6(C)CC(C=C(C)C(=O)O)OC6(O)CCC5(C)C34C)C2=CC2=C1C(O)C1C2=CC(C)(C)OC1(C)C
InChI: InChI=1S/C43H57NO6/c1-22(2)11-13-26-32-27(30-21-38(4,5)50-39(6,7)33(30)35(32)45)19-28-29-18-24-12-14-31-40(8,42(24,10)36(29)44-34(26)28)15-16-43(48)41(31,9)20-25(49-43)17-23(3)37(46)47/h11,17,19,21,24-25,31,33,35,44-45,48H,12-16,18,20H2,1-10H3,(H,46,47)
InChIKey: MCGZCRGDIAILMI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nodulisporium sp. | Nodulisporium | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 683.9300000000002
TPSA？: 112.01000000000002
MolLogP？: 8.46540000000001
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|