Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 11Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30538
- Core Entity Id
- 37130
- Source Entity Count
- 1
- Preferred Name
- P-phthalic acid
- Name En
- Pubchem Id
- 7489
- Smiles Canonical
- C1=CC(=CC=C1C(=O)O)C(=O)O
- Molecular Formula
- C8H6O4
- Molecular Weight
- 166.1320
- Inchikey
- KKEYFWRCBNTPAC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
- Isomeric Smiles
- C1=CC(=CC=C1C(=O)O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.0830
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
P-phthalic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
P-phthalic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
p-phthalic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4-Benzenedicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Benzenedicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
100-21-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
100-21-0
Role
alias
Source
HERB_v2
Preferred
No
Name
Acide terephtalique
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acide terephtalique
Role
alias
Source
HERB_v2
Preferred
No
Name
TEREPHTHALIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
TEREPHTHALIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
Tephthol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tephthol
Role
alias
Source
HERB_v2
Preferred
No
Name
benzene-1,4-dicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
benzene-1,4-dicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Benzenedicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Benzenedicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Carboxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Carboxybenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Dicarboxybenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Dicarboxybenzene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4-Benzenedicarboxylic acid100-21-0Acide terephtaliqueTEREPHTHALIC ACIDTephtholbenzene-1,4-dicarboxylic acidp-Benzenedicarboxylic acidp-Carboxybenzoic acidp-Dicarboxybenzene
Cross References
Trusted external identifiers retained for this final record.
Hit
C0435
Herb
HBIN040625
Tcmid
33590
Pub Chem
7489
Tcmbank
TCMBANKIN034762
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Mol Wt
166.132
Smiles
C1=CC(=CC=C1C(=O)O)C(=O)O
Mol Log P
1.083
In Ch Ikey
KKEYFWRCBNTPAC-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.689
Num Hacceptors
2
Isomeric Smiles
C1=CC(=CC=C1C(=O)O)C(=O)O
Canonical Smiles
C1=CC(=CC=C1C(=O)O)C(=O)O
Herb Alias Names
TEREPHTHALIC ACID100-21-01,4-Benzenedicarboxylic acidbenzene-1,4-dicarboxylic acidp-Dicarboxybenzenep-Benzenedicarboxylic acidp-Carboxybenzoic acidAcide terephtaliqueTephthol
Molecular Weight
166.13 g/mol
Molecular Formula
C8H6O4
Molecular Formula
C8H6O4
Num Rotatable Bonds
2