1-amino-13-ethenyl-11-methyl-6-azatricyclo[7.3.1.0²,?]trideca-2,4,6-trien-5-ol

AlkaPlorer ID: AK061514

Synonym: None

IUPAC Name: (1R,9S,11R,13R)-1-amino-13-ethenyl-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one

Structure

SMILES: C=C[C@@H]1[C@@H]2CC3=C(C=CC(O)=N3)[C@@]1(N)C[C@H](C)C2

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InChI: InChI=1S/C15H20N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-5,9-11H,1,6-8,16H2,2H3,(H,17,18)/t9-,10+,11-,15-/m1/s1

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InChIKey: SBVXFBLZBDSLKP-JNIYBQFBSA-N

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Reference

PubChem CID: 72193163

NPASS: NPC159319

Properties Information

Molecule Weight: 244.338

TPSA: 59.14

MolLogP: 2.3456

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None Molecular identity unknown Activity 12.02 % 10.1021/np4003355
None Molecular identity unknown Activity 49.06 % 10.1021/np4003355
None Molecular identity unknown Activity 55.47 % 10.1021/np4003355

Metabolism Information