Natural Product (NP) Details

General Information of the NP (ID: NP0841)
Name
Trichostatin C
Synonyms
Trichostatin C 68676-88-0 CHEBI:39147 UNII-8K9Y0C8YN4 8K9Y0C8YN4
    Click to Show/Hide
Species Origin Streptomyces sioyaensis ...     Click to Show/Hide
Streptomyces sioyaensis
SuperKingdom: Bacteria
Phylum: Actinomycetota
Class: Actinomycetes
Order: Streptomycetales
Family: Streptomycetaceae
Genus: Streptomyces
Species: Streptomyces sioyaensis
Disease Bladder cancer [ICD-11: 2C94] Investigative
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -5.737
 
MDCK Permeability
 -5.198
 
PAMPA
 ++
 
HIA
 - - -
 
Distribution
VDss
 -0.375
 
PPB
 82.2%
 
BBB
 - - -
 
Metabolism
CYP1A2 inhibitor
 - -
CYP1A2 substrate
 - - -
CYP2C19 inhibitor
 - - -
CYP2C19 substrate
 - - -
CYP2C9 inhibitor
 - - -
CYP2C9 substrate
 - - -
CYP2D6 inhibitor
 - - -
CYP2D6 substrate
 - - -
CYP3A4 inhibitor
 - - -
CYP3A4 substrate
 - - -
CYP2B6 inhibitor
 - -
CYP2B6 substrate
 - - -
CYP2C8 inhibitor
 +++
HLM Stability
 +
 
Excretion
CLplasma
 2.045
 
T1/2
 1.719
Toxicity
DILI
 +++
 
Rat Oral Acute Toxicity
 - - -
 
FDAMDD
 - - -
 
Respiratory
 - -
 
Human Hepatotoxicity
 -
 
Ototoxicity
 +++
 
Drug-induced Nephrotoxicity
 ++
 
Drug-induced Neurotoxicity
 - - -
 
Hematotoxicity
 ++
 
Genotoxicity
 +++
 
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++). 2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
    Click to Show/Hide
    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C23H32N2O8
PubChem CID
6438637
Canonical SMILES
C[C@H](/C=C(\C)/C=C/C(=O)NO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C23H32N2O8/c1-13(11-14(2)19(28)15-6-8-16(9-7-15)25(3)4)5-10-18(27)24-33-23-22(31)21(30)20(29)17(12-26)32-23/h5-11,14,17,20-23,26,29-31H,12H2,1-4H3,(H,24,27)/b10-5+,13-11+/t14-,17-,20-,21+,22-,23+/m1/s1
InChIKey
YECWTLGLNDDPGE-PIFXLSLCSA-N
CAS Number
68676-88-0
ChEBI ID
CHEBI:39147
Target and Pathway
Target(s) Forkhead box protein O1A (FOXO1)  Molecule Info