Stephasubine; (R)-form, N2'-Me 

AlkaPlorer ID: AK314430

Synonym: Colorflammine

IUPAC Name: None

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1=C3C(=C([O-])C(OC)=CC3=CC=[N+]1C)OC1=C(OC)C=C3CCN(C)C(C2)C3=C1

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InChI: InChI=1S/C37H36N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,13,15,18-21,28H,12,14,16-17H2,1-5H3

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InChIKey: FQLSJTUCUXCUAQ-UHFFFAOYSA-N

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Reference

CAS: 80550-39-6

Source

Properties Information

Molecule Weight: 604.7030000000001

TPSA: 76.33

MolLogP: 6.024200000000007

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information