Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1604
- Core Entity Id
- 4972
- Source Entity Count
- 1
- Preferred Name
- Vitamin l1
- Name En
- Pubchem Id
- 227
- Smiles Canonical
- C1=CC=C(C(=C1)C(=O)O)N
- Molecular Formula
- C7H7NO2
- Molecular Weight
- 137.1380
- Inchikey
- RWZYAGGXGHYGMB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
- Isomeric Smiles
- C1=CC=C(C(=C1)C(=O)O)N
- Cas Id
- 1321-11-5
- Ob Score
- 60.3476
- Mol Logp
- 0.9670
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vitamin L1
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-aminobenzoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-aminobenzoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-aminobenzoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Vitamin L1
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Vitamin l1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Vitamin l1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
vitamin L1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-Amino-2-carboxybenzene
Role
alias
Source
TCMBank
Preferred
No
Name
10678_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
10680_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
118-92-3
Role
alias
Source
HERB_v2
Preferred
No
Name
118-92-3
Role
alias
Source
TCMBank
Preferred
No
Name
118-92-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
1321-11-5
Role
alias
Source
TCMBank
Preferred
No
Name
14342-65-5
Role
alias
Source
TCMBank
Preferred
No
Name
2-AA
Role
alias
Source
TCMBank
Preferred
No
Name
2-Aminobenzoic-ring-ul-14C acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-Carboxyaniline
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Carboxyaniline
Role
alias
Source
TCMBank
Preferred
No
Name
2-Carboxyaniline
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Carboxyphenylamine
Role
alias
Source
TCMBank
Preferred
No
Name
2-aminobenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-aminobenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-aminobenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
304557_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
6-AMINOBENZOIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
6AB
Role
alias
Source
TCMBank
Preferred
No
Name
80206-34-4
Role
alias
Source
TCMBank
Preferred
No
Name
A89855_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-02408
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-020028
Role
alias
Source
TCMBank
Preferred
No
Name
ANTHRANILATE
Role
alias
Source
TCMBank
Preferred
No
Name
Anthranilic acid-ring-UL-14C
Role
alias
Source
TCMBank
Preferred
No
Name
BE2
Role
alias
Source
TCMBank
Preferred
No
Name
BENZOIC ACID,2-AMINO ANTHRANILIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0471803
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2-amino-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2-amino-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2-amino-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, amino- (8CI)(9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, o-amino-
Role
alias
Source
TCMBank
Preferred
No
Name
C00108
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 49
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:30754
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 033G
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 204-287-5
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 215-310-3
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 1321
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina anthranilova [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina o-aminobenzoova [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091175-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C01730
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_001191
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 173996
Role
alias
Source
TCMBank
Preferred
No
Name
NSC144
Role
alias
Source
TCMBank
Preferred
No
Name
NSC3937
Role
alias
Source
TCMBank
Preferred
No
Name
NSC40929
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_390012
Role
alias
Source
TCMBank
Preferred
No
Name
SBB007560
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: ZR DVQ
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Aminobenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
anthranilate
Role
alias
Source
itcmdb_public
Preferred
No
Name
anthranilate
Role
alias
Source
HERB_v2
Preferred
No
Name
anthranilic acid
Role
alias
Source
TCMBank
Preferred
No
Name
anthranilic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
anthranilic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Anthranilic acid
Role
alias
Source
TCMBank
Preferred
No
Name
o-Anthranilic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-Anthranilic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Carboxyaniline
Role
alias
Source
TCMBank
Preferred
No
Name
o-Carboxyaniline
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-Carboxyaniline
Role
alias
Source
HERB_v2
Preferred
No
Name
o-aminobenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-aminobenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
o-aminobenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
ortho-Aminobenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
vitamin L1
Role
alias
Source
HERB_v2
Preferred
No
Name
vitamin L1
Role
alias
Source
TCMBank
Preferred
No
Name
vitamin L1
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-aminobenzoic acid1-Amino-2-carboxybenzene10678_FLUKA10680_FLUKA118-92-31321-11-514342-65-52-AA2-Aminobenzoic-ring-ul-14C acid2-Carboxyaniline2-Carboxyphenylamine304557_SIGMA6-AMINOBENZOIC ACID6AB80206-34-4A89855_ALDRICHAI3-02408AIDS-020028ANTHRANILATEAnthranilic acid-ring-UL-14CBE2BENZOIC ACID,2-AMINO ANTHRANILIC ACIDBRN 0471803Benzoic acid, 2-amino-Benzoic acid, amino- (8CI)(9CI)Benzoic acid, o-amino-C00108CCRIS 49CHEBI:30754Caswell No. 033GEINECS 204-287-5EINECS 215-310-3HSDB 1321InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10Kyselina anthranilova [Czech]Kyselina o-aminobenzoova [Czech]NCGC00091175-01NCI-C01730NCIOpen2_001191NSC 173996NSC144NSC3937NSC40929Oprea1_390012SBB007560WLN: ZR DVQalpha-Aminobenzoic acidanthranilic acido-Anthranilic acido-Carboxyanilineo-aminobenzoic acidortho-Aminobenzoic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
1321-11-5
Hit
C0911
Herb
HBIN005317HBIN016289HBIN048072
Tcmid
3286432865
Tcmsp
MOL002317
Sym Map
SMIT04582
Pub Chem
227
Tcmbank
TCMBANKIN058276
Drug Bank
DB04166
Etcm Ingredient
vitamin L1
Itcmdb Generated
ITX-INGREDIENT-A5614FC37B46
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
Mol Wt
137.1379999999999
Smiles
C1=CC=C(C(=C1)C(=O)O)N
Mol Log P
0.9669999999999999
Version
v1,v2
In Ch Ikey
RWZYAGGXGHYGMB-UHFFFAOYSA-N
Ob Score
60.3475995860.347660.348
Suppress
0
Num Hdonors
2
Drug Likeness
0.567
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C(=C1)C(=O)O)N
Molecule Weight
137.15
Canonical Smiles
C1=CC=C(C(=C1)C(=O)O)N
Herb Alias Names
anthranilic acid118-92-3o-aminobenzoic acido-Carboxyaniline2-Carboxyanilinevitamin L1o-Anthranilic acidBenzoic acid, 2-amino-anthranilate
Molecular Weight
137.050
Molecular Weight
137.14 g/mol
Molecular Formula
C7H7NO2
Molecular Formula
C7H7NO2
Molecular Formula
C7H7NO2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness（Qed）
0.567