Dihydrosanguinarine; 12-Methoxy, 5-hydroxy

AlkaPlorer ID: AK073801

Synonym: 5-Hydroxydihydrochelirubine

IUPAC Name: 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21-octaen-11-ol

Structure

SMILES: COC1=CC2=C(OCO2)C2=C1C1=CC(O)=C3C=C4OCOC4=CC3=C1N(C)C2

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InChI: InChI=1S/C21H17NO6/c1-22-7-13-19(17(24-2)6-18-21(13)28-9-27-18)12-3-14(23)10-4-15-16(26-8-25-15)5-11(10)20(12)22/h3-6,23H,7-9H2,1-2H3

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InChIKey: LEHAJESKGINQOW-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 379.3680000000002

TPSA: 69.62

MolLogP: 3.6282000000000014

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011626 COc1cc2c(c3c1-c1cc(O)c4cc5c(cc4c1N(C)C3)OCO5)OCO2.C[SAH]>>COc1cc2c(c3c1-c1cc(OC)c4cc5c(cc4c1N(C)C3)OCO5)OCO2 2.1.1.120-RXN
AKRT011628 COc1cc2c(c3c1-c1ccc4cc5c(cc4c1N(C)C3)OCO5)OCO2>>COc1cc2c(c3c1-c1cc(O)c4cc5c(cc4c1N(C)C3)OCO5)OCO2 1.14.13.57-RXN