UNPD112227

AlkaPlorer ID: AK107833

Synonym: None

IUPAC Name: (2R,4R,6R,8S)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraen-4-ol

Structure

SMILES: CC=C1[C@@H]2C[C@H]3C4=C(CCN3C)C3=CC=CC=C3N4[C@@H](C2)O[C@H]1O

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InChI: InChI=1S/C20H24N2O2/c1-3-13-12-10-17-19-15(8-9-21(17)2)14-6-4-5-7-16(14)22(19)18(11-12)24-20(13)23/h3-7,12,17-18,20,23H,8-11H2,1-2H3/t12-,17+,18-,20-/m1/s1

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InChIKey: QGBYYEWOBJSXNI-GGSCQDKMSA-N

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Reference

PubChem CID: 162972165

NPASS: NPC89412

Properties Information

Molecule Weight: 324.4240000000001

TPSA: 37.63

MolLogP: 3.3738000000000024

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information