9-(1-hydroxyhexyl)-3-(2-hydroxypropyl)-6a-methyl-2H,6H,6aH,8H,9H,9aH-furo[2,3-h]isoquinoline-6,8-dione
AlkaPlorer ID: AK254294
Synonym: None
IUPAC Name: (6aR,9R,9aR)-6-hydroxy-9-[(1S)-1-hydroxyhexyl]-3-[(2S)-2-hydroxypropyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isoquinolin-8-one
Structure
SMILES: CCCCC[C@H](O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C[C@H](C)O)NC=C3[C@@H]12
InChI: InChI=1S/C21H29NO5/c1-4-5-6-7-16(24)18-19-15-11-22-14(8-12(2)23)9-13(15)10-17(25)21(19,3)27-20(18)26/h9-12,16,18-19,22-24H,4-8H2,1-3H3/t12-,16-,18-,19-,21-/m0/s1
InChIKey: JAVFYRHQEZJKIL-ZPQQNUGZSA-N
Reference
LOTUS: LTS0062012
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monascus purpureus | Monascus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 375.4650000000001
TPSA？: 95.86
MolLogP？: 2.1265
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|