Haenamindole
AlkaPlorer ID: AK101629
Synonym: None
IUPAC Name: (3S,6R)-6-[[(2S,10R,10aR)-10-methyl-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl]methyl]-3-(cyclohexylmethyl)-1-hydroxypiperazine-2,5-dione
Structure
SMILES: C[C@@]1(C[C@@H]2C(O)=N[C@@H](CC3CCCCC3)C(=O)N2O)C2=CC=CC=C2N2C(=O)C[C@@H](C3=CC=CC=C3)N[C@H]21
InChI: InChI=1S/C30H36N4O4/c1-30(18-25-27(36)31-23(28(37)34(25)38)16-19-10-4-2-5-11-19)21-14-8-9-15-24(21)33-26(35)17-22(32-29(30)33)20-12-6-3-7-13-20/h3,6-9,12-15,19,22-23,25,29,32,38H,2,4-5,10-11,16-18H2,1H3,(H,31,36)/t22-,23-,25+,29+,30+/m0/s1
InChIKey: SYRKXVJXAYRATF-OEBFQYBYSA-N
Reference
Haenamindole, an unusual diketopiperazine derivative from a marine-derived Penicillium sp. KCB12F005
PubChem CID: 139588722
LOTUS: LTS0180267
{NPAtlas: NPA020192
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 516.6420000000002
TPSA？: 105.47
MolLogP？: 4.637200000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|