Aspechinulin D
AlkaPlorer ID: AK006074
Synonym: None
IUPAC Name: (3S,6S)-3-[[7-[(2R)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
Structure
SMILES: C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=C(NC3=C(C=C(C=C23)CC=C(C)C)C[C@H](C(C)(C)O)O)C(C)(C)C=C
InChI: InChI=1S/C29H41N3O4/c1-9-28(5,6)25-21(15-22-27(35)30-17(4)26(34)31-22)20-13-18(11-10-16(2)3)12-19(24(20)32-25)14-23(33)29(7,8)36/h9-10,12-13,17,22-23,32-33,36H,1,11,14-15H2,2-8H3,(H,30,35)(H,31,34)/t17-,22-,23+/m0/s1
InChIKey: SKFGCYPMRQZAIB-PDIWNELESA-N
Reference
Recent Discovery of Nitrogen Heterocycles from Marine-Derived Aspergillus Species
PubChem CID: 170989468
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 495.6640000000003
TPSA？: 114.45000000000002
MolLogP？: 3.3601000000000028
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|