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: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1469
- Core Entity Id
- 4823
- Source Entity Count
- 1
- Preferred Name
- 2-acridinecarboxylic acid
- Name En
- Pubchem Id
- 3041556
- Smiles Canonical
- C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)C(=O)O
- Molecular Formula
- C14H9NO2
- Molecular Weight
- 223.2310
- Inchikey
- ZCIXDWOBWIAUNV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H9NO2/c16-14(17)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)15-13/h1-8H,(H,16,17)
- Isomeric Smiles
- C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)C(=O)O
- Cas Id
- 54328-73-3
- Ob Score
- 72.8580
- Mol Logp
- 3.0862
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Acridinecarboxylic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Acridinecarboxylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Acridinecarboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Acridinecarboxylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-acridinecarboxylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-acridinecarboxylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-22-00-01323 (Beilstein Handbook Reference)
Role
alias
Source
HERB_v2
Preferred
No
Name
4-22-00-01323 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
4-22-00-01323 (Beilstein Handbook Reference)
Role
alias
Source
itcmdb_public
Preferred
No
Name
54328-73-3
Role
alias
Source
HERB_v2
Preferred
No
Name
54328-73-3
Role
alias
Source
TCMBank
Preferred
No
Name
54328-73-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acridine-3-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0173258
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 0173258
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0173258
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-264288
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-264288
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30202696
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30202696
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL7565802
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL7565802
Role
alias
Source
itcmdb_public
Preferred
No
Name
acridine, 2-carboxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
acridine, 2-carboxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
acridine-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
acridine-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
acridine-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-22-00-01323 (Beilstein Handbook Reference)54328-73-3Acridine-3-carboxylic acidBRN 0173258DB-264288DTXSID30202696SCHEMBL7565802acridine, 2-carboxy-acridine-2-carboxylic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
54328-73-3
Herb
HBIN005141
Tcmsp
MOL009755
Sym Map
SMIT10841
Pub Chem
3041556
Tcmbank
TCMBANKIN011252
Etcm Ingredient
2-Acridinecarboxylic acid
Itcmdb Generated
ITX-INGREDIENT-7A529D9B39C5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H9NO2/c16-14(17)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)15-13/h1-8H,(H,16,17)
Mol Wt
223.231
Cas Id
54328-73-3
Smiles
C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)C(=O)O
Mol Log P
3.086200000000001
Version
v1,v2
In Ch Ikey
ZCIXDWOBWIAUNV-UHFFFAOYSA-N
Ob Score
72.85872.85846272.85846212
Suppress
0
Num Hdonors
1
Drug Likeness
0.645
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)C(=O)O
Molecule Weight
223.24
Canonical Smiles
C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)C(=O)O
Herb Alias Names
54328-73-3acridine-2-carboxylic acidBRN 0173258acridine, 2-carboxy-4-22-00-01323 (Beilstein Handbook Reference)SCHEMBL7565802DTXSID30202696DB-264288
Molecular Weight
223.060
Molecular Weight
223.23
Molecular Formula
C14H9NO2
Molecular Formula
C14H9NO2
Molecular Formula
C14H9NO2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.350
Quantitative Estimate Of Drug Likeness（Qed）
0.645