Phomopsichalasin E
AlkaPlorer ID: AK099071
Synonym: None
IUPAC Name: (1R,2S,3E,5S,7R,9E,11R,14R,15S,16R)-16-benzyl-2,5-dihydroxy-5,7,14-trimethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-13-carboxylic acid
Structure
SMILES: C[C@@H]1C/C=C/[C@@H]2C=C(C(=O)O)[C@H](C)[C@@H]3[C@@H](CC4=CC=CC=C4)N=C(O)[C@@]32[C@@H](O)/C=C/[C@@](C)(O)C1
InChI: InChI=1S/C28H35NO5/c1-17-8-7-11-20-15-21(25(31)32)18(2)24-22(14-19-9-5-4-6-10-19)29-26(33)28(20,24)23(30)12-13-27(3,34)16-17/h4-7,9-13,15,17-18,20,22-24,30,34H,8,14,16H2,1-3H3,(H,29,33)(H,31,32)/b11-7+,13-12+/t17-,18+,20-,22-,23+,24-,27-,28+/m1/s1
InChIKey: FZMOWDZENBQKIA-XROCEZICSA-N
Reference
Cytochalasins from mangrove endophytic fungi Phomopsis spp. xy21 and xy22
PubChem CID: 139586205
LOTUS: LTS0077272
{NPAtlas: NPA011195
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phomopsis sp. xy21 | Phomopsis | Valsaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 465.59000000000015
TPSA？: 110.35
MolLogP？: 4.101500000000003
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|