5,7-dioxa-12-azapentacyclo[10.7.1.0²,¹?.0?,?.0¹?,²?]icosa-2,4(8),9,16-tetraen-19-ol

AlkaPlorer ID: AK139932

Synonym: None

IUPAC Name: (1S,19R,20S)-5,7-dioxa-12-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-2,4(8),9,16-tetraen-19-ol

Structure

SMILES: O[C@@H]1CC=C2CCCN3CC4=CC5=C(C=C4[C@H]1[C@@H]23)OCO5

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InChI: InChI=1S/C17H19NO3/c19-13-4-3-10-2-1-5-18-8-11-6-14-15(21-9-20-14)7-12(11)16(13)17(10)18/h3,6-7,13,16-17,19H,1-2,4-5,8-9H2/t13-,16-,17-/m1/s1

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InChIKey: WGHIWDRDGKPXRY-KBRIMQKVSA-N

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Reference

PubChem CID: 162873838

NPASS: NPC94511

Source

Properties Information

Molecule Weight: 285.3430000000001

TPSA: 41.93000000000001

MolLogP: 2.1678999999999995

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