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Ingredients

(3r,3ar,6s,7ar)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3h-benzofuran-2,5-dione

C10H14O4

Entity Type
Ingredients
Relation Groups
4
Relation Preview
26

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3r,3ar,6s,7ar)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3h-benzofuran-2,5-dione
Molecular Formula
C10H14O4
Molecular Weight
No data
Canonical SMILES
CC1C2CC(=O)C(CC2OC1=O)(C)O
Isomeric SMILES
C[C@@H]1[C@H]2CC(=O)[C@@](C[C@H]2OC1=O)(C)O
InChI
InChI=1S/C10H14O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-7,13H,3-4H2,1-2H3/t5-,6-,7-,10+/m1/s1
Oral Bioavailability
104.942
Drug Likeness
0.568
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
白芍
Bai Shao / Radix Paeoniae Alba; Paeoniae Radix Alba
Bai ShaoRadix Paeoniae Alba; Paeoniae Radix Alba
02
赤芍
Chi Shao / Paeoniae Radix Rubra; Radix Paeoniae Rubra
Chi ShaoPaeoniae Radix Rubra; Radix Paeoniae Rubra