4-[(2R)-6-(hydroxymethyl)-9-methoxy-4-methyl-8-(methylamino)-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]phenol
AlkaPlorer ID: AK162663
Synonym: None
IUPAC Name: 4-[(2R)-6-(hydroxymethyl)-9-methoxy-4-methyl-8-(methylamino)-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]phenol
Structure
SMILES: CNC1=CC(CO)=C2CN(C)C[C@@H](C3=CC=C(O)C=C3)NC2=C1OC
InChI: InChI=1S/C19H25N3O3/c1-20-16-8-13(11-23)15-9-22(2)10-17(21-18(15)19(16)25-3)12-4-6-14(24)7-5-12/h4-8,17,20-21,23-24H,9-11H2,1-3H3/t17-/m0/s1
InChIKey: MAZVKSCDHSGJNN-KRWDZBQOSA-N
Reference
Aplysepine, a novel 1,4-benzodiazepine alkaloid from the sea hare Aplysia kurodai
PubChem CID: 163087435
LOTUS: LTS0097906
SuperNatural Ⅲ: SN0220765-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysia kurodai | Aplysia | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 343.4270000000001
TPSA？: 76.99000000000001
MolLogP？: 2.5334000000000003
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|