Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Ergothioneine

C9H15N3O2S

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 10

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: Ergothioneine
Molecular Formula: C9H15N3O2S
Molecular Weight: No data
Canonical SMILES: C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)[O-]
Isomeric SMILES: C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]
InChI: InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
Oral Bioavailability: No data
Drug Likeness: 0.537
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 Active Targets

Active Targets

ingredient target8 Targets

Graph More Targets

01

collagen type I alpha 2 chain

collagen type I alpha 2 chain

02

Fos proto-oncogene, AP-1 transcription factor subunit

Fos proto-oncogene, AP-1 transcription factor subunit

03

GA binding protein transcription factor subunit alpha

GA binding protein transcription factor subunit alpha

04

heme oxygenase 1

heme oxygenase 1

05

Jun proto-oncogene, AP-1 transcription factor subunit

Jun proto-oncogene, AP-1 transcription factor subunit

06

matrix metallopeptidase 1

matrix metallopeptidase 1

07

nuclear factor kappa B subunit 1

nuclear factor kappa B subunit 1

08

NAD(P)H quinone dehydrogenase 1

NAD(P)H quinone dehydrogenase 1