Nod Acid A
AlkaPlorer ID: AK322148
Synonym: None
IUPAC Name: 5-(7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-27-oxo-28-prop-1-en-2-yl-21-oxa-1-azaoctacyclo[13.13.1.02,14.03,12.04,9.017,25.018,23.026,29]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl)-2-methylpenta-2,4-dienoic acid
Structure
SMILES: C=C(C)C1C(=O)C2=C3C(=CC4=C2N1C1=C4CC2CCC4C(C)(C=CC=C(C)C(=O)O)C(O)CCC4(C)C12C)C1=CC(C)(C)OC(C)(C)C1C3O
InChI: InChI=1S/C43H53NO6/c1-21(2)33-36(47)31-30-24(27-20-39(4,5)50-40(6,7)32(27)35(30)46)19-25-26-18-23-13-14-28-41(8,16-11-12-22(3)38(48)49)29(45)15-17-42(28,9)43(23,10)37(26)44(33)34(25)31/h11-12,16,19-20,23,28-29,32-33,35,45-46H,1,13-15,17-18H2,2-10H3,(H,48,49)
InChIKey: UNCVXXVJJXJZII-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nodulisporium sp. | Nodulisporium | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | Nodulisporium | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 679.8980000000003
TPSA？: 108.99
MolLogP？: 8.183200000000008
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|