Saxicolaline A
AlkaPlorer ID: AK000059
Synonym: None
IUPAC Name: (6aS)-2,11-dihydroxy-1,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-4-one
Structure
SMILES: C[N+]1(CC(=O)C2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)O)C
InChI: InChI=1S/C20H21NO5/c1-21(2)9-14(23)11-8-13(22)20(26-4)18-16-10(7-12(21)17(11)18)5-6-15(25-3)19(16)24/h5-6,8,12H,7,9H2,1-4H3,(H-,22,24)/p+1/t12-/m0/s1
InChIKey: NBEDEMOWLPCAIZ-LBPRGKRZSA-O
Reference
PubChem CID: 70697769
Source
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Properties Information
Molecule Weight: 356.3980000000001
TPSA？: 75.99000000000001
MolLogP？: 2.6519000000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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