(3S)-6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
AlkaPlorer ID: AK041758
Synonym: None
IUPAC Name: (3S)-6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
Structure
SMILES: CC1(C)N[C@H](C(=O)O)CC2=CC(O)=C(O)C=C21
InChI: InChI=1S/C12H15NO4/c1-12(2)7-5-10(15)9(14)4-6(7)3-8(13-12)11(16)17/h4-5,8,13-15H,3H2,1-2H3,(H,16,17)/t8-/m0/s1
InChIKey: FFRYJJHJNRQBMO-QMMMGPOBSA-N
Reference
Alkaloidal constituents of Mucuna pruriens seeds
PubChem CID: 13406893
LOTUS: LTS0047020
SuperNatural Ⅲ: SN0084486-01
NPASS: NPC125
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mucuna pruriens | Mucuna | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 237.255
TPSA？: 89.79
MolLogP？: 0.9317999999999996
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|