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Ingredients

Isoarnebin 4

C16H16O5

Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Isoarnebin 4
Molecular Formula
C16H16O5
Molecular Weight
No data
Canonical SMILES
CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C
Isomeric SMILES
CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C
InChI
InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1
Oral Bioavailability
64.793
Drug Likeness
0.585
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Active Targets

ingredient target8 Targets
04
ALDH1A1
aldehyde dehydrogenase 1 family member A1
aldehyde dehydrogenase 1 family member A1
05
ALDH3A1
aldehyde dehydrogenase 3 family member A1
aldehyde dehydrogenase 3 family member A1
06
APEX1
apurinic/apyrimidinic endodeoxyribonuclease 1
apurinic/apyrimidinic endodeoxyribonuclease 1
08
ARNTL
aryl hydrocarbon receptor nuclear translocator like
aryl hydrocarbon receptor nuclear translocator like