IngredientID 35125

Thap

C8H8O4

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 1Ingredient: 1Target: 9Links: 10

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 35125
Core Entity Id: 42228
Source Entity Count: 1
Preferred Name: Thap
Name En
Pubchem Id: 68073
Smiles Canonical: CC(=O)C1=C(C=C(C=C1O)O)O
Molecular Formula: C8H8O4
Molecular Weight: 168.1480
Inchikey: XLEYFDVVXLMULC-UHFFFAOYSA-N
Inchi: InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
Isomeric Smiles: CC(=O)C1=C(C=C(C=C1O)O)O
Cas Id: 480-66-0
Ob Score: 42.6410
Mol Logp: 1.0060
Num H Donors: 3
Num H Acceptors: 4
Num Rotatable Bonds: 1
Drug Likeness: 0.5470
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Thap

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

THAP

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

THAP

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Thap

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Thap

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Thap

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

1-(2,4,6-Trihydroxyphenyl)ethanone

Role

alias

Source

TCMBank

Preferred

Name

1-(2,4,6-Trihydroxyphenyl)ethanone

Role

alias

Source

itcmdb_public

Preferred

Name

1-(2,4,6-Trihydroxyphenyl)ethanone

Role

alias

Source

HERB_v2

Preferred

Name

2',4',6'-Trihydroxyacetophenone

Role

alias

Source

HERB_v2

Preferred

Name

2',4',6'-Trihydroxyacetophenone

Role

alias

Source

TCMBank

Preferred

Name

2,4,6-Trihydroxyacetophenone

Role

alias

Source

itcmdb_public

Preferred

Name

2-Acetylphloroglucinol

Role

alias

Source

itcmdb_public

Preferred

Name

2-Acetylphloroglucinol

Role

alias

Source

HERB_v2

Preferred

Name

2-Acetylphloroglucinol

Role

alias

Source

TCMBank

Preferred

Name

2′,4′,6′-Trihydroxyacetophenone monohydrate

Role

alias

Source

TCMBank

Preferred

Name

41711_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

480-66-0

Role

alias

Source

HERB_v2

Preferred

Name

480-66-0

Role

alias

Source

TCMBank

Preferred

Name

480-66-0

Role

alias

Source

itcmdb_public

Preferred

Name

91928_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

91930_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

ACon1_001026

Role

alias

Source

TCMBank

Preferred

Name

Acetophenone, 2',4',6'-trihydroxy-

Role

alias

Source

TCMBank

Preferred

Name

Acetophenone, 2',4',6'-trihydroxy- (8CI)

Role

alias

Source

TCMBank

Preferred

Name

Acetophloroglucine

Role

alias

Source

HERB_v2

Preferred

Name

Acetophloroglucine

Role

alias

Source

itcmdb_public

Preferred

Name

Acetophloroglucine

Role

alias

Source

TCMBank

Preferred

Name

Acetylphloroglucinol

Role

alias

Source

itcmdb_public

Preferred

Name

Acetylphloroglucinol

Role

alias

Source

HERB_v2

Preferred

Name

Acetylphloroglucinol

Role

alias

Source

TCMBank

Preferred

Name

EINECS 207-556-5

Role

alias

Source

TCMBank

Preferred

Name

Ethanone, 1-(2,4,6-trihydroxyphenyl)-

Role

alias

Source

HERB_v2

Preferred

Name

Ethanone, 1-(2,4,6-trihydroxyphenyl)-

Role

alias

Source

TCMBank

Preferred

Name

Ethanone, 1-(2,4,6-trihydroxyphenyl)-

Role

alias

Source

itcmdb_public

Preferred

Name

InChI=1/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H

Role

alias

Source

TCMBank

Preferred

Name

NCGC00095604-01

Role

alias

Source

TCMBank

Preferred

Name

NSC54927

Role

alias

Source

TCMBank

Preferred

Name

PHLOROACETOPHENONE

Role

alias

Source

itcmdb_public

Preferred

Name

PHLOROACETOPHENONE

Role

alias

Source

TCMBank

Preferred

Name

PHLOROACETOPHENONE

Role

alias

Source

HERB_v2

Preferred

Name

Phloracetophenone

Role

alias

Source

itcmdb_public

Preferred

Name

Phloracetophenone

Role

alias

Source

HERB_v2

Preferred

Name

SDCCGMLS-0066935.P001

Role

alias

Source

TCMBank

Preferred

Name

SPBio_002177

Role

alias

Source

TCMBank

Preferred

Name

SPECTRUM300604

Role

alias

Source

TCMBank

Preferred

Name

ST5307942

Role

alias

Source

TCMBank

Preferred

Name

Spectrum2_001989

Role

alias

Source

TCMBank

Preferred

Name

T64602_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

ZINC00157773

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

1-(2,4,6-Trihydroxyphenyl)ethanone2',4',6'-Trihydroxyacetophenone2,4,6-Trihydroxyacetophenone2-Acetylphloroglucinol2′,4′,6′-Trihydroxyacetophenone monohydrate41711_FLUKA480-66-091928_FLUKA91930_FLUKAACon1_001026Acetophenone, 2',4',6'-trihydroxy-Acetophenone, 2',4',6'-trihydroxy- (8CI)AcetophloroglucineAcetylphloroglucinolEINECS 207-556-5Ethanone, 1-(2,4,6-trihydroxyphenyl)-InChI=1/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1HNCGC00095604-01NSC54927PHLOROACETOPHENONEPhloracetophenoneSDCCGMLS-0066935.P001SPBio_002177SPECTRUM300604ST5307942Spectrum2_001989T64602_ALDRICHZINC00157773

Cross References

Trusted external identifiers retained for this final record.

Cas

480-66-0

Herb

HBIN046237

Npass

NPC209486

Tcmsp

MOL004297

Sym Map

SMIT06241

Pub Chem

68073

Tcmbank

TCMBANKIN020542

Etcm Ingredient

THAP

Itcmdb Generated

ITX-INGREDIENT-2E5CBBD1EEDD

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3

Mol Wt

168.148

Cas Id

480-66-0

Smiles

CC(=O)C1=C(C=C(C=C1O)O)O

Mol Log P

1.006

Version

v1,v2

In Ch Ikey

XLEYFDVVXLMULC-UHFFFAOYSA-N

Ob Score

42.64142.64125742.64125714

Suppress

Num Hdonors

Drug Likeness

0.547

Num Hacceptors

Isomeric Smiles

CC(=O)C1=C(C=C(C=C1O)O)O

Molecule Weight

168.16

Canonical Smiles

CC(=O)C1=C(C=C(C=C1O)O)O

Herb Alias Names

480-66-02',4',6'-TrihydroxyacetophenonePhloracetophenone1-(2,4,6-Trihydroxyphenyl)ethanonePHLOROACETOPHENONE2,4,6-TrihydroxyacetophenoneAcetophloroglucineAcetylphloroglucinolEthanone, 1-(2,4,6-trihydroxyphenyl)-2-Acetylphloroglucinol

Molecular Weight

168.040

Molecular Weight

168.15

Molecular Formula

C8H8O4

Molecular Formula

C8H8O4

Molecular Formula

C8H8O4

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.198

Quantitative Estimate Of Drug Likeness（Qed）

0.547