UCSF

ZINC00035525

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: Skimmianine Skimmianine

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CAS Number: 83-95-4

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 2.82 -14.24 0 5 0 54 259.261 3 ↓
Mid Mid (pH 6-8) 2.69 3.88 -24.01 1 5 1 55 260.269 3 ↓

Vendor Notes

Note Type Comments Provided By
biological_source Alkaloid from Skimmia japonica and more than 40 other spp. from many genera, mostly in the family Rutaceae ZereneX Building Blocks
mechanism Antagonist of 5-hydroxytryptamine receptors IBScreen Bioactives
biological_use Antiviral IBScreen Bioactives
biological_use Diuretic IBScreen Bioactives
biological_use Protozoacide IBScreen Bioactives
mechanism Spasmolytic IBScreen Bioactives
biological_use Spasmolytic agent IBScreen Bioactives IBScreen Bioactives
mechanism Spasmolytic IBScreen Bioactives

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Analogs ( Draw Identity 99% 90% 80% 70% )