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Ingredients

(3r)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde

C14H16O2

Entity Type
Ingredients
Relation Groups
2
Relation Preview
10

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3r)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde
Molecular Formula
C14H16O2
Molecular Weight
No data
Canonical SMILES
CC(=C)C1CCC2=C(C1)C(=CC(=C2)O)C=O
Isomeric SMILES
CC(=C)[C@@H]1CCC2=C(C1)C(=CC(=C2)O)C=O
InChI
InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1
Oral Bioavailability
68.061
Drug Likeness
0.609
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.

Source Herbs

herb ingredient2 Herbs
01
乌药
Wu Yao / Radix Linderae; Linderae Radix
Wu YaoRadix Linderae; Linderae Radix
02
沉香
Chen Xiang / Aquilariae Lignum Resinatum; Lignum Aquilariae Resinatum
Chen XiangAquilariae Lignum Resinatum; Lignum Aquilariae Resinatum