Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 144
- Core Entity Id
- 1421
- Source Entity Count
- 1
- Preferred Name
- 2,2',4,4'-tetrahydroxybenzil
- Name En
- Pubchem Id
- 219592
- Smiles Canonical
- C1=CC(=C(C=C1O)O)C(=O)C(=O)C2=C(C=C(C=C2)O)O
- Molecular Formula
- C14H10O6
- Molecular Weight
- 274.2280
- Inchikey
- NGWYJYHAFLMHNW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O6/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,15-18H
- Isomeric Smiles
- C1=CC(=C(C=C1O)O)C(=O)C(=O)C2=C(C=C(C=C2)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5746
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,2',4,4'-Tetrahydroxybenzil
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,2',4,4'-tetrahydroxybenzil
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,2',4,4'-tetrahydroxybenzil
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
.beta.-Resorcil
Role
alias
Source
itcmdb_public
Preferred
No
Name
.beta.-Resorcil
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-bis(2,4-dihydroxyphenyl)ethane-1,2-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-bis(2,4-dihydroxyphenyl)ethane-1,2-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
5394-98-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
5394-98-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Bis(2,4-dihydroxyphenyl)ethanedione
Role
alias
Source
HERB_v2
Preferred
No
Name
Bis(2,4-dihydroxyphenyl)ethanedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:79730
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:79730
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanedione, bis(2,4-dihydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanedione, bis(2,4-dihydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
J1.174.832E
Role
alias
Source
HERB_v2
Preferred
No
Name
J1.174.832E
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lespedezol H1
Role
alias
Source
HERB_v2
Preferred
No
Name
Lespedezol H1
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-1053
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-1053
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.beta.-Resorcil1,2-bis(2,4-dihydroxyphenyl)ethane-1,2-dione5394-98-9Bis(2,4-dihydroxyphenyl)ethanedioneCHEBI:79730Ethanedione, bis(2,4-dihydroxyphenyl)-J1.174.832ELespedezol H1NSC-1053
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003648
Tcmid
12698
Pub Chem
219592
Tcmbank
TCMBANKIN025901
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O6/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,15-18H
Mol Wt
274.228
Smiles
C1=CC(=C(C=C1O)O)C(=O)C(=O)C2=C(C=C(C=C2)O)O
Mol Log P
1.5746
In Ch Ikey
NGWYJYHAFLMHNW-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.499
Num Hacceptors
6
Isomeric Smiles
C1=CC(=C(C=C1O)O)C(=O)C(=O)C2=C(C=C(C=C2)O)O
Canonical Smiles
C1=CC(=C(C=C1O)O)C(=O)C(=O)C2=C(C=C(C=C2)O)O
Herb Alias Names
5394-98-91,2-bis(2,4-dihydroxyphenyl)ethane-1,2-dioneLespedezol H1.beta.-ResorcilNSC-1053Bis(2,4-dihydroxyphenyl)ethanedioneEthanedione, bis(2,4-dihydroxyphenyl)-CHEBI:79730J1.174.832E
Molecular Weight
274.22 g/mol
Molecular Formula
C14H10O6
Molecular Formula
C14H10O6
Num Rotatable Bonds
3