Guadiscidine; Deoxy

AlkaPlorer ID: AK164537

Synonym: Demethoxyguadiscine, Deoxyguadiscidine

IUPAC Name: 13,13-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14,16,18-heptaene

Structure

SMILES: CC1(C)C2=NCCC3=C2C(=C2OCOC2=C3)C2=CC=CC=C21

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InChI: InChI=1S/C19H17NO2/c1-19(2)13-6-4-3-5-12(13)16-15-11(7-8-20-18(15)19)9-14-17(16)22-10-21-14/h3-6,9H,7-8,10H2,1-2H3

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InChIKey: VCNLDUWVRAICAX-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 291.35

TPSA: 30.82

MolLogP: 3.718700000000002

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information