(+/-)-6-Acetonyldihydrosanguinarine

AlkaPlorer ID: AK006178

Synonym: '', '6-Acetonyldihydrosanguinarine', '(+/-)-6-Acetonyldihydrosanguinarine', '(+/-)-8-Acetonyldihydrosanguinarine', '8-Acetonyldihydrosanguinarine', '6-Acetonyl-5,6-dihydrosanguinarine'

IUPAC Name: 1-[(23S)-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(22),15,17(21)-octaen-23-yl]propan-2-one

Structure

SMILES: CC(=O)C[C@H]1C2=C3OCOC3=CC=C2C2=CC=C3C=C4OCOC4=CC3=C2N1C

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InChI: InChI=1S/C23H19NO5/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/h3-6,8-9,17H,7,10-11H2,1-2H3/t17-/m0/s1

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InChIKey: ONEHMWWDDDSJBB-KRWDZBQOSA-N

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Source

Properties Information

Molecule Weight: 389.4070000000002

TPSA: 57.23000000000001

MolLogP: 4.434200000000003

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