Strychnochrysine; 9'-Methoxy, 5',6'-didehydro, N4-Me 

AlkaPlorer ID: AK314606

Synonym: 5',6'-Dehydroguiachrysine

IUPAC Name: None

Structure

SMILES: CCC1=CN2C=CC3=C4C(OC)=CC=CC4=NC3=C2C=C1C1=CN2C3=C(C=CC=C3)C34CC[N+]5(C)CC(=CCO)C(CC35)C(C1O)C24

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InChI: InChI=1S/C40H41N4O3/c1-4-23-20-42-15-12-25-35-30(9-7-11-33(35)47-3)41-37(25)32(42)18-26(23)28-21-43-31-10-6-5-8-29(31)40-14-16-44(2)22-24(13-17-45)27(19-34(40)44)36(38(28)46)39(40)43/h5-13,15,18,20-21,27,34,36,38-39,45-46H,4,14,16-17,19,22H2,1-3H3/q+1

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InChIKey: LTNBQBFWZNZZMF-UHFFFAOYSA-N

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Reference

CAS: 381724-72-7

Source

Properties Information

Molecule Weight: 625.7930000000003

TPSA: 70.23

MolLogP: 5.792600000000009

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information