IngredientID 30544

Quinone

C6H4O2

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Herb: 12Ingredient: 1Target: 12Links: 24

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 30544
Core Entity Id: 37136
Source Entity Count: 1
Preferred Name: Quinone
Name En
Pubchem Id: 4650
Smiles Canonical: C1=CC(=O)C=CC1=O
Molecular Formula: C6H4O2
Molecular Weight: 108.0960
Inchikey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
Inchi: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
Isomeric Smiles: C1=CC(=O)C=CC1=O
Cas Id
Ob Score: 33.5790
Mol Logp: 0.2506
Num H Donors: 0
Num H Acceptors: 2
Num Rotatable Bonds: 0
Drug Likeness: 0.4170
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Quinone

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

P-quinone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

P-quinone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quinone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quinone

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Quinone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Quinone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quinone

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

p-quinone;Quinone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

双岐放线菌

Role

TCM_name

Source

TCMBank

Preferred

Name

Streptothris chromogena

Role

TCM_name2

Source

TCMBank

Preferred

Name

1,4-BENZOQUINONE

Role

alias

Source

itcmdb_public

Preferred

Name

1,4-BENZOQUINONE

Role

alias

Source

HERB_v2

Preferred

Name

1,4-Benzochinon

Role

alias

Source

TCMBank

Preferred

Name

1,4-Benzoquine

Role

alias

Source

TCMBank

Preferred

Name

1,4-Benzoquinone

Role

alias

Source

TCMBank

Preferred

Name

1,4-Cyclohexadiene dioxide

Role

alias

Source

TCMBank

Preferred

Name

1,4-Cyclohexadienedione

Role

alias

Source

TCMBank

Preferred

Name

1,4-Diossibenzene

Role

alias

Source

TCMBank

Preferred

Name

1,4-Diossibenzene [Italian]

Role

alias

Source

TCMBank

Preferred

Name

1,4-Dioxy-benzol

Role

alias

Source

TCMBank

Preferred

Name

1,4-Dioxy-benzol [German]

Role

alias

Source

TCMBank

Preferred

Name

1,4-Dioxybenzene

Role

alias

Source

TCMBank

Preferred

Name

106-51-4

Role

alias

Source

TCMBank

Preferred

Name

106-51-4

Role

alias

Source

HERB_v2

Preferred

Name

106-51-4

Role

alias

Source

itcmdb_public

Preferred

Name

12309_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

19052-63-2

Role

alias

Source

TCMBank

Preferred

Name

2,5-Cyclohexadiene-1,4-dione

Role

alias

Source

itcmdb_public

Preferred

Name

2,5-Cyclohexadiene-1,4-dione

Role

alias

Source

HERB_v2

Preferred

Name

2,5-Cyclohexadiene-1,4-dione

Role

alias

Source

TCMBank

Preferred

Name

2,5-Cyclohexadiene-1,4-dione, radical ion(1-)

Role

alias

Source

TCMBank

Preferred

Name

3225-29-4

Role

alias

Source

TCMBank

Preferred

Name

51226-74-5

Role

alias

Source

TCMBank

Preferred

Name

54560-36-0

Role

alias

Source

TCMBank

Preferred

Name

AI3-09068

Role

alias

Source

TCMBank

Preferred

Name

AIDS-000153

Role

alias

Source

TCMBank

Preferred

Name

B10358_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

Benzo-chinon

Role

alias

Source

TCMBank

Preferred

Name

Benzo-chinon [German]

Role

alias

Source

TCMBank

Preferred

Name

Benzoquinone

Role

alias

Source

HERB_v2

Preferred

Name

Benzoquinone

Role

alias

Source

TCMBank

Preferred

Name

Benzoquinone

Role

alias

Source

itcmdb_public

Preferred

Name

Benzoquinone [UN2587] [Poison]

Role

alias

Source

TCMBank

Preferred

Name

C00472

Role

alias

Source

TCMBank

Preferred

Name

C15602

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 933

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:16509

Role

alias

Source

TCMBank

Preferred

Name

Caswell No. 719C

Role

alias

Source

TCMBank

Preferred

Name

Chinon [Dutch, German]

Role

alias

Source

TCMBank

Preferred

Name

Chinone

Role

alias

Source

itcmdb_public

Preferred

Name

Chinone

Role

alias

Source

HERB_v2

Preferred

Name

Chinone

Role

alias

Source

TCMBank

Preferred

Name

Cyclohexadiene-1,4-dione

Role

alias

Source

TCMBank

Preferred

Name

Cyclohexadienedione

Role

alias

Source

TCMBank

Preferred

Name

EINECS 203-405-2

Role

alias

Source

TCMBank

Preferred

Name

EPA Pesticide Chemical Code 059805

Role

alias

Source

TCMBank

Preferred

Name

EU-0100120

Role

alias

Source

TCMBank

Preferred

Name

HSDB 1111

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4

Role

alias

Source

TCMBank

Preferred

Name

Lopac-B-1266

Role

alias

Source

TCMBank

Preferred

Name

Lopac0_000120

Role

alias

Source

TCMBank

Preferred

Name

NCGC00015139-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091053-01

Role

alias

Source

TCMBank

Preferred

Name

NCI-C55845

Role

alias

Source

TCMBank

Preferred

Name

NSC36324

Role

alias

Source

TCMBank

Preferred

Name

Quinone

Role

alias

Source

HERB_v2

Preferred

Name

Quinone

Role

alias

Source

itcmdb_public

Preferred

Name

Quinone1,4-Benzoquinone

Role

alias

Source

TCMBank

Preferred

Name

RCRA waste no. U197

Role

alias

Source

TCMBank

Preferred

Name

RCRA waste number U197

Role

alias

Source

TCMBank

Preferred

Name

Semiquinone anion

Role

alias

Source

TCMBank

Preferred

Name

Steara pbq

Role

alias

Source

TCMBank

Preferred

Name

UN2587

Role

alias

Source

TCMBank

Preferred

Name

USAF P-220

Role

alias

Source

TCMBank

Preferred

Name

WLN: L6V DVJ

Role

alias

Source

TCMBank

Preferred

Name

benzo-1,4-quinone

Role

alias

Source

TCMBank

Preferred

Name

c0261

Role

alias

Source

TCMBank

Preferred

Name

cyclohexa-2,5-diene-1,4-dione

Role

alias

Source

itcmdb_public

Preferred

Name

cyclohexa-2,5-diene-1,4-dione

Role

alias

Source

TCMBank

Preferred

Name

cyclohexa-2,5-diene-1,4-dione

Role

alias

Source

HERB_v2

Preferred

Name

p-Benzoquinone

Role

alias

Source

TCMBank

Preferred

Name

p-Chinon

Role

alias

Source

TCMBank

Preferred

Name

p-Chinon [German]

Role

alias

Source

TCMBank

Preferred

Name

p-Quinone

Role

alias

Source

itcmdb_public

Preferred

Name

p-Quinone

Role

alias

Source

TCMBank

Preferred

Name

p-Quinone

Role

alias

Source

HERB_v2

Preferred

Name

p-benzoquinone

Role

alias

Source

HERB_v2

Preferred

Name

p-benzoquinone

Role

alias

Source

itcmdb_public

Preferred

Name

para-Benzoquinone

Role

alias

Source

HERB_v2

Preferred

Name

para-Benzoquinone

Role

alias

Source

TCMBank

Preferred

Name

para-Benzoquinone

Role

alias

Source

itcmdb_public

Preferred

Name

para-Quinone

Role

alias

Source

TCMBank

Preferred

Name

quinone

Role

alias

Source

TCMBank

Preferred

Name

semiquinone radicals

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

P-quinonep-quinone;Quinone双岐放线菌Streptothris chromogena1,4-BENZOQUINONE1,4-Benzochinon1,4-Benzoquine1,4-Cyclohexadiene dioxide1,4-Cyclohexadienedione1,4-Diossibenzene1,4-Diossibenzene [Italian]1,4-Dioxy-benzol1,4-Dioxy-benzol [German]1,4-Dioxybenzene106-51-412309_FLUKA19052-63-22,5-Cyclohexadiene-1,4-dione2,5-Cyclohexadiene-1,4-dione, radical ion(1-)3225-29-451226-74-554560-36-0AI3-09068AIDS-000153B10358_ALDRICHBenzo-chinonBenzo-chinon [German]BenzoquinoneBenzoquinone [UN2587] [Poison]C00472C15602CCRIS 933CHEBI:16509Caswell No. 719CChinon [Dutch, German]ChinoneCyclohexadiene-1,4-dioneCyclohexadienedioneEINECS 203-405-2EPA Pesticide Chemical Code 059805EU-0100120HSDB 1111InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4Lopac-B-1266Lopac0_000120NCGC00015139-01NCGC00091053-01NCI-C55845NSC36324Quinone1,4-BenzoquinoneRCRA waste no. U197RCRA waste number U197Semiquinone anionSteara pbqUN2587USAF P-220WLN: L6V DVJbenzo-1,4-quinonec0261cyclohexa-2,5-diene-1,4-dionep-Benzoquinonep-Chinonp-Chinon [German]para-Benzoquinonepara-Quinonesemiquinone radicals

Cross References

Trusted external identifiers retained for this final record.

Cas

19052-63-2

Hit

C1168

Herb

HBIN040632HBIN041761

Npass

NPC138872NPC304788

Tcmid

18411

Tcmsp

MOL003738

Sym Map

SMIT05766

Tcm Id

1509915100

Pub Chem

4650

Tcmbank

TCMBANKIN050151TCMBANKIN058270

Etcm Ingredient

Quinone

Itcmdb Generated

ITX-INGREDIENT-1F58BA4EB5E7ITX-INGREDIENT-CED3FB21A34D

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H

Mol Wt

108.096

Smiles

C1=CC(=O)C=CC1=O

Mol Log P

0.2505999999999999

Version

v1,v2

In Ch Ikey

AZQWKYJCGOJGHM-UHFFFAOYSA-N

Ob Score

33.57933.57917333.57917331

Suppress

Tcm Name

双岐放线菌

Tcm Name2

Streptothris chromogena

Mol2 Path

/TCM_database/2007_3d_all/18426.mol2

Reference

1521

Num Hdonors

Drug Likeness

0.417

Num Hacceptors

Isomeric Smiles

C1=CC(=O)C=CC1=O

Molecule Weight

108.1

Canonical Smiles

C1=CC(=O)C=CC1=O

Herb Alias Names

p-benzoquinone1,4-BENZOQUINONEBenzoquinoneQuinone106-51-4cyclohexa-2,5-diene-1,4-dionepara-BenzoquinoneChinone2,5-Cyclohexadiene-1,4-dione

Molecular Weight

108.020

Molecular Weight

108.09 g/mol

Molecular Formula

C6H4O2

Molecular Formula

C6H4O2

Molecular Formula

C6H4O2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.883

Quantitative Estimate Of Drug Likeness（Qed）

0.417