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Ingredients

Trilobatin

C21H24O10

Entity Type
Ingredients
Relation Groups
2
Relation Preview
11

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Trilobatin
Molecular Formula
C21H24O10
Molecular Weight
No data
Canonical SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O)O
Isomeric SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
Oral Bioavailability
No data
Drug Likeness
0.288
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 ingredient3 Herbs
02
秦艽
Qin Jiao / Radix Gentianae Macrophyllae; Gentianae Macrophyllae Radix
Qin JiaoRadix Gentianae Macrophyllae; Gentianae Macrophyllae Radix