General Information of the Compound
Compound ID
CP0774432
Compound Name
SID56463114
    Show/Hide
Synonyms
3,4,5-Trimethoxycinnamic acid, methyl reserpate
3,4,5-Trimethoxycinnamoyl methyl reserpate
3,4,5-Trimethylcinnamic acid, ester with methyl reserpate
3,4,5-Trimethylcinnamoyl methyl reserpate
Anapral
Anaprel
Anaprel (TN)
Apolon
Apoterin
Apoterin S
Cartric
Cinamine
Cinatabs
Cinnaloid
Cinnasil
Cinnasil (TN)
Methyl 18-O-(3,4,5-trimethoxycinnamoyl)reserpate
Methyl reserpate 3,4,5-trimethoxycinnamic acid ester
Methyl trimethoxycinnamoylreserpate
Moderil
Moderil (TN)
NP-011016
Normorescina
O-(3,4,5-Trimethoxy-trans-cinnamoyl) methyl reserpate
Paresinan
Raupyrol
Raurescin
Raurescine
Recinnamine
Recitensina
Rescaloid
Rescamin
Rescidan
Rescin
Rescinamina
Rescinamina [INN-Spanish]
Rescinnamin
Rescinnamina
Rescinnamina [DCIT]
Rescinnamine
Rescinnamine (JAN/INN)
Rescinnamine (VAN)
Rescinnamine [BAN:INN:JAN]
Rescinnaminum
Rescinnaminum [INN-Latin]
Rescinpal
Rescisan
Rescitens
Resealoid
Resepinine (C35 alkaloid)
Reserpic acid methyl ester 3,4,5-trimethoxycinnamate
Reserpinene
Reserpinin
Reserpinine
Reserpinine (C35 alkaloid)
Reserpinine (VAN)
Resipal
Reskinnamin
Rozex
Scinnamina
Tenamine
Trimethoxy cinnamoyl reserpate de methyl
Trimethoxy cinnamoyl reserpate de methyl [French]
Trimethoxycinnamoyl methyl reserpate
Tsuruselpi S
Tsuruselpi S (TN)
Tuareg
    Show/Hide
Structure
Formula
C35H42N2O9
Molecular Weight
634.726
Canonical SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
    Show/Hide
InChI
InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
    Show/Hide
InChIKey
SZLZWPPUNLXJEA-QEGASFHISA-N
CAS
24815-24-5
Physicochemical Property
logP
4.5707
Rotatable Bonds
9
Heavy Atom Count
46
Polar Areas
117.78
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
Complexity
46

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5280954
SID: 14789939
ChEMBL ID
CHEMBL1668
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 18356.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 1835.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Rescinnamine )
Drug Name Rescinnamine
Indication
Hypertension
Approved
Target(s)
Angiotensin-converting enzyme (ACE)
 Target Info 
Inhibitor