Cyclohelminthol X
AlkaPlorer ID: AK107870
Synonym: None
IUPAC Name: (1S,2R,3aS,5R,7S,7aR)-2-[(E)-but-2-enoyl]-1-[(1R,5S,6S)-1'-chloro-5-hexyl-2,3',4,5'-tetraoxo-2'-[(E)-prop-1-enyl]spiro[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: C/C=C/C(=O)[C@@]1(O)C[C@@H]2C[C@H](C(=O)O)C[C@H](C)[C@H]2[C@@H]1C(=O)[C@]12C(=O)N=C(O)[C@@]1(CCCCCC)[C@]21C(=O)C(Cl)=C(/C=C/C)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)/b11-6+,12-7+/t17-,18+,19-,22+,23+,31-,32-,33-,34-/m0/s1
InChIKey: KBWKWUJPGLJPHK-YEYIOALGSA-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 |
|---|