α-(4-Aminobutyl)-6,7,8,8a-tetrahydro-7,8-dihydroxy-7-methyl-6-oxo-3-(1-propenyl)-2(1H)-isoquinolineacetic acid
AlkaPlorer ID: AK284501
Synonym: None
IUPAC Name: None
Structure
SMILES: CC=CC1=CC2=CC(=O)C(C)(O)C(O)C2CN1C(CCCCN)C(=O)O
InChI: InChI=1S/C19H28N2O5/c1-3-6-13-9-12-10-16(22)19(2,26)17(23)14(12)11-21(13)15(18(24)25)7-4-5-8-20/h3,6,9-10,14-15,17,23,26H,4-5,7-8,11,20H2,1-2H3,(H,24,25)
InChIKey: BZAYEMJXZAEXTI-UHFFFAOYSA-N
Reference
CAS: 909016-85-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monascus ruber | Monascus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 364.4420000000002
TPSA？: 124.09000000000002
MolLogP？: 0.5814000000000004
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|