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Ingredients

Isobutyryl shikonin

C20H22O6

Entity Type
Ingredients
Relation Groups
2
Relation Preview
13

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Isobutyryl shikonin
Molecular Formula
C20H22O6
Molecular Weight
No data
Canonical SMILES
CC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
Isomeric SMILES
CC(C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
InChI
InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1
Oral Bioavailability
6.481
Drug Likeness
0.476
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 ingredient5 Herbs
01
土荆皮
Tu Jing Pi / Pseudolaricis Cortex; Cortex Pseudolaricis
Tu Jing PiPseudolaricis Cortex; Cortex Pseudolaricis
04
紫草
Zi Cao / Radix Arnebiae; Arnebiae Radix
Zi CaoRadix Arnebiae; Arnebiae Radix
05
蛇床子
She Chuang Zi / Cnidii Fructus; Fructus Cnidii
She Chuang ZiCnidii Fructus; Fructus Cnidii