methyl 17-ethyl-6-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.0²,¹?.0?,?.0¹³,¹?]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
AlkaPlorer ID: AK165745
Synonym: None
IUPAC Name: methyl 17-ethyl-6-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: CCC1CC2CC3(C(=O)OC)C4=C(CCN(C2=O)C13)C1=CC=C(OC)C=C1N4
InChI: InChI=1S/C22H26N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-16(7-8-24(19(12)22)20(13)25)15-6-5-14(27-2)10-17(15)23-18/h5-6,10,12-13,19,23H,4,7-9,11H2,1-3H3
InChIKey: UBXFBXUBYUBVPO-UHFFFAOYSA-N
Reference
Indole alkaloids from a callus culture of Tabernaemontana elegans
PubChem CID: 162954452
LOTUS: LTS0086024
COCONUT: CNP0225362
Source
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Properties Information
Molecule Weight: 382.46
TPSA？: 71.63
MolLogP？: 2.790400000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
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