Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6107
- Core Entity Id
- 9971
- Source Entity Count
- 1
- Preferred Name
- (4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
- Name En
- Pubchem Id
- 11311158
- Smiles Canonical
- C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2O)O)O)O
- Molecular Formula
- C13H10O5
- Molecular Weight
- 246.2180
- Inchikey
- AOJWDTJDEGSHOA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
- Isomeric Smiles
- C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2O)O)O)O
- Cas Id
- 52591-10-3
- Ob Score
- 86.8440
- Mol Logp
- 1.7400
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(4-Hydroxyphenyl)-(2,4,6-Trihydroxyphenyl)Methanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4-Hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone monohydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4-Hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone monohydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
(4-hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4-hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,6,4'-Tetrahydroxybenzophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,6,4'-Tetrahydroxybenzophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
52591-10-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
52591-10-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzophenone, 2,4,4',6-tetrahydroxy- (6CI)
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzophenone, 2,4,4',6-tetrahydroxy- (6CI)
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL443689
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL443689
Role
alias
Source
itcmdb_public
Preferred
No
Name
EX-A7110
Role
alias
Source
HERB_v2
Preferred
No
Name
EX-A7110
Role
alias
Source
itcmdb_public
Preferred
No
Name
Iriflophene
Role
alias
Source
HERB_v2
Preferred
No
Name
Iriflophene
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9148205
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9148205
Role
alias
Source
itcmdb_public
Preferred
No
Name
iriflophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
iriflophenone
Role
alias
Source
TCMBank
Preferred
No
Name
iriflophenone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4-Hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone monohydrate(4-hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone2,4,6,4'-Tetrahydroxybenzophenone52591-10-3Benzophenone, 2,4,4',6-tetrahydroxy- (6CI)CHEMBL443689EX-A7110IriflopheneSCHEMBL9148205iriflophenone
Cross References
Trusted external identifiers retained for this final record.
Cas
52591-10-3
Herb
HBIN010561HBIN030298
Npass
NPC32032
Tcmid
1115034042
Tcmsp
MOL009084
Sym Map
SMIT10265
Pub Chem
11311158
Tcmbank
TCMBANKIN058185
Etcm Ingredient
(4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Itcmdb Generated
ITX-INGREDIENT-FB2B5CF56740
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
Mol Wt
246.218
Cas Id
52591-10-3
Smiles
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2O)O)O)O
Mol Log P
1.740000000000001
Version
v1,v2
In Ch Ikey
AOJWDTJDEGSHOA-UHFFFAOYSA-N
Ob Score
86.84486.84403686.84403626
Suppress
0
Num Hdonors
4
Drug Likeness
0.605
Num Hacceptors
5
Isomeric Smiles
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2O)O)O)O
Molecule Weight
246.23
Canonical Smiles
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2O)O)O)O
Herb Alias Names
iriflophenone52591-10-3(4-hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanoneIriflopheneBenzophenone, 2,4,4',6-tetrahydroxy- (6CI)(4-Hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone2,4,6,4'-Tetrahydroxybenzophenone(4-Hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone monohydrateCHEMBL443689SCHEMBL9148205EX-A7110
Molecular Weight
246.050
Molecular Weight
246.21 g/mol
Molecular Formula
C13H10O5
Molecular Formula
C13H10O5
Molecular Formula
C13H10O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.077
Quantitative Estimate Of Drug Likeness（Qed）
0.605