Nodulisporic acid A2
AlkaPlorer ID: AK043544
Synonym: '', 'Nodulisporic acid A2'
IUPAC Name: 3-[(3S,4S,7S,9S,11S,12R,15S,26R,27S,31S)-7,27-dihydroxy-3,4,11,23,23,25,25-heptamethyl-30-oxo-31-prop-1-en-2-yl-8,24-dioxa-1-azanonacyclo[16.13.1.02,17.03,15.04,12.07,11.020,28.021,26.029,32]dotriaconta-2(17),18,20(28),21,29(32)-pentaen-9-yl]-3-hydroxy-2-methylpropanoic acid
Structure
SMILES: C=C(C)[C@H]1C(=O)C2=C3C(=CC4=C2N1C1=C4C[C@@H]2CC[C@@H]4[C@](C)(CC[C@]5(O)O[C@H](C(O)C(C)C(=O)O)C[C@@]45C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O
InChI: InChI=1S/C43H55NO8/c1-19(2)31-35(47)29-28-22(25-17-38(4,5)52-39(6,7)30(25)34(28)46)16-23-24-15-21-11-12-27-40(8,42(21,10)36(24)44(31)32(23)29)13-14-43(50)41(27,9)18-26(51-43)33(45)20(3)37(48)49/h16-17,20-21,26-27,30-31,33-34,45-46,50H,1,11-15,18H2,2-10H3,(H,48,49)/t20?,21-,26-,27+,30+,31-,33?,34+,40-,41-,42+,43-/m0/s1
InChIKey: UVWBKHSYPWQMOP-CLAMLFBVSA-N
Reference
Isolation and structure of nodulisporic acid A1 and A2, novel insecticides from a Nodulisporium sp.
PubChem CID: 11802930
LOTUS: LTS0220725
NPASS: NPC473441
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 713.9120000000001
TPSA？: 138.45000000000002
MolLogP？: 6.794300000000008
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aedes aegypti | Aedes aegypti | LD90 | 800.0 | ng/ml | 10.1021/np020339u |
| Ctenocephalides felis | Ctenocephalides felis | LD90 | 10.0 | ug ml-1 | 10.1021/np020339u |
| Lucilia sericata | Lucilia sericata | LD90 | 600.0 | ng/ml | 10.1021/np020339u |
| None | ADMET | LD90 | 10.0 | p.p.m. | 10.1016/s0960-894x(02)00621-2 |