General Information of the Compound
Compound ID
CP0449496
Compound Name
(12aS,13S)-2,3,6,7-tetramethoxy-9,10,11,12,12a,13-hexahydro-9a-aza-cyclopenta[b]triphenylen-13-ol
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Synonyms
(13aS,14S)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
(13aS,14S)-Tylophorinine
87302-58-7
AC1L8JU6
BDBM50213933
CHEMBL399454
CTK7A0055
DCB-3503
Dibenzo(f,H)pyrrolo(1,2-b)isoquinolin-14-ol, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (13aS,14S)-
Dibenzo(f,H)pyrrolo(1,2-b)isoquinolin-14-ol, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (13as-trans)-
Dibenzo[f,2-b]isoquinolin-14-ol, 9
NCI60_040362
NSC-716802
NSC716802
SCHEMBL12389871
TXF835U41K
UNII-TXF835U41K
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Structure
Formula
C24H27NO5
Molecular Weight
409.482
Canonical SMILES
COc1cc2c3CN4CCC[C@H]4[C@@H](O)c3c3cc(OC)c(OC)cc3c2cc1OC
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InChI
InChI=1S/C24H27NO5/c1-27-19-8-13-14-9-20(28-2)22(30-4)11-16(14)23-17(15(13)10-21(19)29-3)12-25-7-5-6-18(25)24(23)26/h8-11,18,24,26H,5-7,12H2,1-4H3/t18-,24+/m0/s1
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InChIKey
JWHWLMNMGLICQZ-MHECFPHRSA-N
Physicochemical Property
logP
4.0388
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
60.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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).

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PubChem ID
CID: 402628
SID: 14757590
ChEMBL ID
CHEMBL399454
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: PT04205, Transcription factor Jun
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1067 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( DCB-3503 )
Drug Name DCB-3503
Target(s)
c-Jun messenger RNA (c-Jun mRNA)
 Target Info 
Inhibitor