kopsinine
AlkaPlorer ID: AK001739
Synonym: '16-Epikopsinine', '', '(-)-Kopsinine', 'Kopsinine', 'Aspidofractinine-3-carboxylic acid, methyl ester,(2alpha,3beta,5alpha)-', '2,21-cycloaspidospermidine-3-carboxylic acid, methyl ester, (3beta,5alpha,12beta,19alpha)-'
IUPAC Name: methyl (1S,9R,16S,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Structure
SMILES: COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(C6=CC=CC=C6N[C@@]15CC2)[C@@H]43
InChI: InChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18-,19-,20+,21-/m0/s1
InChIKey: IYLRRIUNGGQRTN-KJRRRBQDSA-N
Reference
Alkaloids from Kopsia dasyrachis
PubChem CID: 51397011
LOTUS: LTS0014408
SuperNatural Ⅲ: SN0158709-10
Source
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Properties Information
Molecule Weight: 338.4510000000001
TPSA？: 41.57
MolLogP？: 2.929900000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 7
Activities Information
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