Daphnezomine A
AlkaPlorer ID: AK426473
Synonym: None
IUPAC Name: 3-[(2S,3R,7R,8S,13S,14R)-7-hydroxy-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,8.07,12]hexadecan-2-yl]propanoic acid
Structure
SMILES: CC(C)[C@H]1CCC2(C)C3C[C@H]4[C@H]5CCC[C@]4(O)N(C3)[C@@H]1[C@@]52CCC(=O)O
InChI: InChI=1S/C22H35NO3/c1-13(2)15-6-9-20(3)14-11-17-16-5-4-8-22(17,26)23(12-14)19(15)21(16,20)10-7-18(24)25/h13-17,19,26H,4-12H2,1-3H3,(H,24,25)/t14?,15-,16-,17+,19+,20?,21-,22-/m1/s1
InChIKey: JTJZQXLCCPOWJJ-KPSZINJXSA-N
Reference
Alkaloids from the Leaves of <i>Daphniphyllum subverticillatum</i>
PubChem CID: 163194098
LOTUS: LTS0088195
Source
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Properties Information
Molecule Weight: 361.5260000000002
TPSA？: 60.77
MolLogP？: 3.7325000000000017
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
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