Daphnicyclidine D; 2-Hydroxy, 16,17-didehydro

AlkaPlorer ID: AK294317

Synonym: Paxiphylline B

IUPAC Name: methyl 5-hydroxy-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.15,19.02,10.03,8.017,20]henicosa-1(19),13(20),15,17-tetraene-18-carboxylate

Structure

SMILES: COC(=O)C1=C2C=COC3=C2C2=C1C(=O)C1(O)CC4N(CC1C)CC(CC3)C24C

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InChI: InChI=1S/C23H25NO5/c1-11-9-24-10-12-4-5-14-16-13(6-7-29-14)17(21(26)28-3)18-19(16)22(12,2)15(24)8-23(11,27)20(18)25/h6-7,11-12,15,27H,4-5,8-10H2,1-3H3

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InChIKey: JHCADBPJWZOJRG-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 395.4550000000002

TPSA: 79.97999999999999

MolLogP: 2.642500000000001

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information