MappiodineA
AlkaPlorer ID: AK000467
Synonym: None
IUPAC Name: (2S,3S,6S,12bS)-3-ethyl-9-hydroxy-2-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylic acid
Structure
SMILES: CC[C@@H]1CN2[C@@H](C[C@@H]1C(CO)C(=O)OC)C3=C(C[C@H]2C(=O)O)C4=C(N3)C=CC(=C4)O
InChI: InChI=1S/C22H28N2O6/c1-3-11-9-24-18(7-13(11)16(10-25)22(29)30-2)20-15(8-19(24)21(27)28)14-6-12(26)4-5-17(14)23-20/h4-6,11,13,16,18-19,23,25-26H,3,7-10H2,1-2H3,(H,27,28)/t11-,13+,16?,18+,19+/m1/s1
InChIKey: KDJXZMQKERUMAG-BRURFJDNSA-N
Reference
Terpenoid indole alkaloids from Mappianthus iodoides Hand.-Mazz.
PubChem CID: 76900452
data_source: manually
Source
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Properties Information
Molecule Weight: 416.47400000000005
TPSA？: 123.09000000000002
MolLogP？: 2.0535
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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