8-Acetonyldihydrosanguinarine; (ξ)-form, 1',8-Didehydro(1'ξ-)

AlkaPlorer ID: AK282995

Synonym: 8-Ketenesanguinarine, 6-Ketenesanguinarine

IUPAC Name: None

Structure

SMILES: CC(=O)/C=C1/C2=C(C=CC3=C2OCO3)C2=C(C3=CC4=C(C=C3C=C2)OCO4)N1C

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InChI: InChI=1S/C23H17NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-9H,10-11H2,1-2H3/b17-7-

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InChIKey: CDTWKUMKWQBYHH-IDUWFGFVSA-N

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Reference

CAS: 1625636-00-1

Source

Properties Information

Molecule Weight: 387.3910000000001

TPSA: 57.23000000000001

MolLogP: 4.343900000000004

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information