Rubropunctamine; N-(1R,3-Dicarboxypropyl)
AlkaPlorer ID: AK089307
Synonym: N-Glutarylrubropunctamine
IUPAC Name: 2-(3-hexanoyl-9a-methyl-2,9-dioxo-6-prop-1-enylfuro[3,2-g]isoquinolin-7-yl)pentanedioic acid
Structure
SMILES: CC=CC1=CC2=CC3=C(C(=O)CCCCC)C(=O)OC3(C)C(=O)C2=CN1C(CCC(=O)O)C(=O)O
InChI: InChI=1S/C26H29NO8/c1-4-6-7-9-20(28)22-18-13-15-12-16(8-5-2)27(19(24(32)33)10-11-21(29)30)14-17(15)23(31)26(18,3)35-25(22)34/h5,8,12-14,19H,4,6-7,9-11H2,1-3H3,(H,29,30)(H,32,33)
InChIKey: XBUWNEMZEWOHAM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Talaromyces sp. | Talaromyces | Trichocomaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Monascus ruber | Monascus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 483.5170000000002
TPSA？: 138.28
MolLogP？: 3.2345000000000006
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|