Cyclohelminthol X
AlkaPlorer ID: AK293590
Synonym: None
IUPAC Name: 2-but-2-enoyl-1-(1'-chloro-5-hexyl-2,3',4,5'-tetraoxo-2'-prop-1-enylspiro[3-azabicyclo[3.1.0]hexane-6,4'-cyclopentene]-1-carbonyl)-2-hydroxy-7-methyl-1,3,3a,4,5,6,7,7a-octahydroindene-5-carboxylic acid
Structure
SMILES: CC=CC(=O)C1(O)CC2CC(C(=O)O)CC(C)C2C1C(=O)C12C(=O)N=C(O)C1(CCCCCC)C21C(=O)C(Cl)=C(C=CC)C1=O
InChI: InChI=1S/C34H40ClNO9/c1-5-8-9-10-13-32-29(43)36-30(44)34(32,33(32)25(38)20(11-6-2)24(35)27(33)40)26(39)23-22-17(4)14-18(28(41)42)15-19(22)16-31(23,45)21(37)12-7-3/h6-7,11-12,17-19,22-23,45H,5,8-10,13-16H2,1-4H3,(H,41,42)(H,36,43,44)
InChIKey: KBWKWUJPGLJPHK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Helminthosporium velutinum | Helminthosporium | Massarinaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 642.1450000000003
TPSA？: 175.46999999999997
MolLogP？: 4.475500000000004
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|