Dehydrodaphnigraciline

AlkaPlorer ID: AK004435

Synonym: None

IUPAC Name: methyl (1'S,3S,5'S,11'R,12'R)-6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate

Structure

SMILES: CCC1=CC[C@]2(CO1)[C@@H]3CCC4=C5[C@]2(C[C@H]([C@H]5CC4)C(=O)OC)CN(C3)C

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InChI: InChI=1S/C23H33NO3/c1-4-17-9-10-22(14-27-17)16-7-5-15-6-8-18-19(21(25)26-3)11-23(22,20(15)18)13-24(2)12-16/h9,16,18-19H,4-8,10-14H2,1-3H3/t16-,18-,19-,22+,23+/m1/s1

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InChIKey: ONAGOPFNNJDPCW-XIQGKOAISA-N

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Properties Information

Molecule Weight: 371.52100000000013

TPSA: 38.77

MolLogP: 3.928300000000003

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None Platelet Inhibition 13.4 % 10.1021/np070512s

Metabolism Information