7,9-dihydroxy-3-(1H-indol-3-ylmethyl)-8-methoxy-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
AlkaPlorer ID: AK011413
Synonym: None
IUPAC Name: (3R,11aR)-7,9-dihydroxy-3-(1H-indol-3-ylmethyl)-8-methoxy-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
Structure
SMILES: COC1=C(O)C=C2C[C@@H]3C(O)=N[C@H](CC4=CNC5=CC=CC=C45)C(=O)N3CC2=C1O
InChI: InChI=1S/C22H21N3O5/c1-30-20-18(26)8-11-7-17-21(28)24-16(22(29)25(17)10-14(11)19(20)27)6-12-9-23-15-5-3-2-4-13(12)15/h2-5,8-9,16-17,23,26-27H,6-7,10H2,1H3,(H,24,28)/t16-,17-/m1/s1
InChIKey: FBGQHXBBNVDHIX-IAGOWNOFSA-N
Reference
A new diketopiperazine alkaloid from <i>Aspergillus oryzae</i>
PubChem CID: 139583167
LOTUS: LTS0102462
{NPAtlas: NPA000286
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus oryzae | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 407.42600000000016
TPSA？: 118.38
MolLogP？: 2.422400000000001
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|