Emodacidamide F
AlkaPlorer ID: AK108171
Synonym: None
IUPAC Name: (2S,3S)-2-[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]-3-methylpentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)C1=CC(O)=C2C(=O)C3=C(O)C(Cl)=C(O)C=C3C(=O)C2=C1)C(=O)O
InChI: InChI=1S/C21H18ClNO8/c1-3-7(2)16(21(30)31)23-20(29)8-4-9-13(11(24)5-8)18(27)14-10(17(9)26)6-12(25)15(22)19(14)28/h4-7,16,24-25,28H,3H2,1-2H3,(H,23,29)(H,30,31)/t7-,16-/m0/s1
InChIKey: WHACVUABXCQHBE-GYKQLYQFSA-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: 447.82700000000017
TPSA？: 164.72
MolLogP？: 3.036100000000003
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|