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Ingredients

1-methyl-acetylshikonin

C19H20O6

Entity Type
Ingredients
Relation Groups
2
Relation Preview
5

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
1-methyl-acetylshikonin
Molecular Formula
C19H20O6
Molecular Weight
No data
Canonical SMILES
CC(=CCC(C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)O)OC(=O)C)C
Isomeric SMILES
CC(=CC[C@@H](C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)O)OC(=O)C)C
InChI
InChI=1S/C19H20O6/c1-10(2)5-8-16(25-11(3)20)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24-4/h5-7,9,16,23H,8H2,1-4H3/t16-/m0/s1
Oral Bioavailability
No data
Drug Likeness
0.651
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
01
土荆皮
Tu Jing Pi / Pseudolaricis Cortex; Cortex Pseudolaricis
Tu Jing PiPseudolaricis Cortex; Cortex Pseudolaricis
03
紫草
Zi Cao / Radix Arnebiae; Arnebiae Radix
Zi CaoRadix Arnebiae; Arnebiae Radix