Guadiscidine; 11-Methoxy, Me ether

AlkaPlorer ID: AK231653

Synonym: Guadiscoline

IUPAC Name: 16,18-dimethoxy-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(19),15,17-heptaene

Structure

SMILES: COC1=CC(OC)=C2C(=C1)C(C)(C)C1=NCCC3=CC4=C(OCO4)C2=C13

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InChI: InChI=1S/C21H21NO4/c1-21(2)13-8-12(23-3)9-14(24-4)17(13)18-16-11(5-6-22-20(16)21)7-15-19(18)26-10-25-15/h7-9H,5-6,10H2,1-4H3

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InChIKey: CHJGVNKIEZGJIX-UHFFFAOYSA-N

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Reference

PubChem CID: 163028484

SuperNatural Ⅲ: SN0045797

NPASS: NPC222252

COCONUT: CNP0306580

Properties Information

Molecule Weight: 351.40200000000016

TPSA: 49.28

MolLogP: 3.735900000000004

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information