2,3,10,11-Berbinetetrol; (S)-form, 3-Me ether, β-N-Me 

AlkaPlorer ID: AK290524

Synonym: Gusanlung E

IUPAC Name: None

Structure

SMILES: COC1=CC2=C(C=C1O)C1CC3=CC(O)=C(O)C=C3C[N+]1(C)CC2

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InChI: InChI=1S/C19H21NO4/c1-20-4-3-11-8-19(24-2)18(23)9-14(11)15(20)5-12-6-16(21)17(22)7-13(12)10-20/h6-9,15H,3-5,10H2,1-2H3,(H2-,21,22,23)/p+1

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InChIKey: FHMLIGNGHQEQLK-UHFFFAOYSA-O

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Reference

CAS: 1802146-55-9

Properties Information

Molecule Weight: 328.38800000000015

TPSA: 69.92

MolLogP: 2.6121000000000008

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information