Variecolorin L
AlkaPlorer ID: AK066505
Synonym: None
IUPAC Name: (3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-4,5-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
Structure
SMILES: C=CC(C)(C)C1=C(C[C@@H]2N=C(O)[C@H](C)N=C2O)C2=C(CC=C(C)C)C(CC=C(C)C)=CC=C2N1
InChI: InChI=1S/C29H39N3O2/c1-9-29(7,8)26-22(16-24-28(34)30-19(6)27(33)32-24)25-21(14-11-18(4)5)20(12-10-17(2)3)13-15-23(25)31-26/h9-11,13,15,19,24,31H,1,12,14,16H2,2-8H3,(H,30,34)(H,32,33)/t19-,24-/m0/s1
InChIKey: XYEWKBJTXXXGRB-CYFREDJKSA-N
Reference
Isoechinulin-type Alkaloids, Variecolorins A–L, from Halotolerant Aspergillus variecolor
PubChem CID: 23655532
LOTUS: LTS0125878
NPASS: NPC280548
{NPAtlas: NPA007877
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 461.65000000000026
TPSA？: 80.97
MolLogP？: 6.875100000000007
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | LD50 | nan | None | 10.1021/np5007839 |
| Homo sapiens | Bel-7402 | IC50 | 50000.0 | nM | 10.1021/np070208z |
| Homo sapiens | HL-60 | IC50 | 50000.0 | nM | 10.1021/np070208z |
| Mus musculus | P388 | IC50 | 50000.0 | nM | 10.1021/np070208z |
| None | NON-PROTEIN TARGET | IC50 | 50000.0 | nM | 10.1021/np070208z |
| None | No relevant target | IC50 | 623000.0 | nM | 10.1021/np070208z |