Malformin B4
AlkaPlorer ID: AK019788
Synonym: None
IUPAC Name: (1S,4S,7R,10S,13S)-4-[(2S)-butan-2-yl]-7-[(2R)-butan-2-yl]-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone
Structure
SMILES: CC[C@@H](C)[C@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@H]2CSSC[C@@H](N=C(O)[C@H]([C@@H](C)CC)N=C1O)C(O)=N2
InChI: InChI=1S/C23H39N5O5S2/c1-7-12(5)17-22(32)25-14-9-34-35-10-15(24-19(14)29)20(30)26-16(11(3)4)21(31)27-18(13(6)8-2)23(33)28-17/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,32)(H,26,30)(H,27,31)(H,28,33)/t12-,13+,14+,15+,16-,17-,18+/m0/s1
InChIKey: PIXYPRXKMCTYQV-RJBILPHGSA-N
Reference
Structure of Malformin B, a Phytotoxic Metabolite Produced by<i>Aspergillus niger</i>
PubChem CID: 38350263
LOTUS: LTS0062445
SuperNatural Ⅲ: SN0286650-02
{NPAtlas: NPA013195
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 529.7290000000002
TPSA？: 162.95
MolLogP？: 4.768700000000004
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|