Emodacidamide E
AlkaPlorer ID: AK108168
Synonym: None
IUPAC Name: (2S,3S)-3-methyl-2-[(4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]pentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)C1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(=O)C2=C1)C(=O)O
InChI: InChI=1S/C21H19NO8/c1-3-8(2)17(21(29)30)22-20(28)9-4-11-15(13(24)5-9)19(27)16-12(18(11)26)6-10(23)7-14(16)25/h4-8,17,23-25H,3H2,1-2H3,(H,22,28)(H,29,30)/t8-,17-/m0/s1
InChIKey: UVFFSOBWYUVHFJ-QPFGOUBPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. SCSIO SOF101 | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 413.3820000000002
TPSA？: 164.72
MolLogP？: 2.3827
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|