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Ingredients

(2r,5s)-5-methyl-2-[(e)-1-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-vinyl]cyclohexan-1-one

C16H26O7

Entity Type
Ingredients
Relation Groups
2
Relation Preview
10

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(2r,5s)-5-methyl-2-[(e)-1-methyl-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-vinyl]cyclohexan-1-one
Molecular Formula
C16H26O7
Molecular Weight
No data
Canonical SMILES
CC1CCC(C(=O)C1)C(=COC2C(C(C(C(O2)CO)O)O)O)C
Isomeric SMILES
C[C@H]1CC[C@@H](C(=O)C1)/C(=C/O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C
InChI
InChI=1S/C16H26O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h7-8,10,12-17,19-21H,3-6H2,1-2H3/b9-7+/t8-,10+,12+,13+,14-,15+,16+/m0/s1
Oral Bioavailability
27.322
Drug Likeness
0.523
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
胡黄连
Hu Huang Lian / Rhizoma Picrorhizae; Picrorhizae Rhizoma
Hu Huang LianRhizoma Picrorhizae; Picrorhizae Rhizoma
02
荆芥
Jing Jie / Herba Schizonepetae; Schizonepetae Herba
Jing JieHerba Schizonepetae; Schizonepetae Herba