Not named
AlkaPlorer ID: AK031832
Synonym: 'Not named'
IUPAC Name: (2S)-2-[(9aR)-9a-methyl-3-octanoyl-2,9-dioxo-6-[(E)-prop-1-enyl]furo[3,2-g]isoquinolin-7-yl]propanoic acid
Structure
SMILES: C/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@@H](C)C(=O)O
InChI: InChI=1S/C26H31NO6/c1-5-7-8-9-10-12-21(28)22-20-14-17-13-18(11-6-2)27(16(3)24(30)31)15-19(17)23(29)26(20,4)33-25(22)32/h6,11,13-16H,5,7-10,12H2,1-4H3,(H,30,31)/b11-6+/t16-,26+/m0/s1
InChIKey: QIFKDKYLKWDIPS-BVIOHOBHSA-N
Reference
Identification of Major Pigments Containing D-Amino Acid Units in Commercial Monascus Pigments.
PubChem CID: 10789853
LOTUS: LTS0273052
SuperNatural Ⅲ: SN0306119-01
{NPAtlas: NPA001400
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Monascus | Fellodistomidae | Strigeidida | Trematoda | Platyhelminthes | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 453.53500000000014
TPSA？: 100.98
MolLogP？: 4.169800000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|