Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 6Ingredient: 1Target: 3Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31842
- Core Entity Id
- 38584
- Source Entity Count
- 1
- Preferred Name
- Rheumin
- Name En
- Pubchem Id
- 8593
- Smiles Canonical
- C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
- Molecular Formula
- C16H11NO2
- Molecular Weight
- 249.2690
- Inchikey
- YTRMTPPVNRALON-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
- Isomeric Smiles
- C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
- Cas Id
- Ob Score
- 9.1638
- Mol Logp
- 3.6000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rheumin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Rheumin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rheumin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rheumin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Rheumin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
132-60-5
Role
alias
Source
HERB_v2
Preferred
No
Name
132-60-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenyl-4-quinolinecarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Phenyl-4-quinolinecarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenylcinchoninic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Phenylcinchoninic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenylquinoline-4-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenylquinoline-4-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[(E)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]-5-hydroxy-3,4-dihydropyran-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NT01W
Role
alias
Source
TCMBank
Preferred
No
Name
Atophan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Atophan
Role
alias
Source
HERB_v2
Preferred
No
Name
Cinchopen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinchopen
Role
alias
Source
HERB_v2
Preferred
No
Name
Cinchophen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinchophen
Role
alias
Source
HERB_v2
Preferred
No
Name
Cinchophene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinchophene
Role
alias
Source
HERB_v2
Preferred
No
Name
Cinconal
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinconal
Role
alias
Source
HERB_v2
Preferred
No
Name
Tervalon
Role
alias
Source
HERB_v2
Preferred
No
Name
Tervalon
Role
alias
Source
itcmdb_public
Preferred
No
Name
rheumin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
132-60-52-Phenyl-4-quinolinecarboxylic acid2-Phenylcinchoninic acid2-Phenylquinoline-4-carboxylic acid3-[(E)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]-5-hydroxy-3,4-dihydropyran-2-oneAC1NT01WAtophanCinchopenCinchophenCinchopheneCinconalTervalon
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042215
Tcmid
18752
Tcmsp
MOL002271
Sym Map
SMIT04547SMIT17460
Pub Chem
8593
Tcmbank
TCMBANKIN025013
Etcm Ingredient
Rheumin
Itcmdb Generated
ITX-INGREDIENT-75661C573FF2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
Mol Wt
249.269
Smiles
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
Mol Log P
3.600000000000002
Version
v1,v2
In Ch Ikey
YTRMTPPVNRALON-UHFFFAOYSA-N
Ob Score
9.1638299.1638294959.164
Suppress
1
Num Hdonors
1
Drug Likeness
0.754
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
Molecule Weight
276.26
Canonical Smiles
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
Herb Alias Names
Cinchophen132-60-52-Phenylquinoline-4-carboxylic acid2-Phenyl-4-quinolinecarboxylic acidCinchopen2-Phenylcinchoninic acidAtophanTervalonCinchopheneCinconal
Molecular Weight
249.080
Molecular Weight
249.26 g/mol
Molecular Formula
C16H11NO2
Molecular Formula
C16H11NO2
Molecular Formula
C16H11NO2
Num Rotatable Bonds
2
Link Ingredient Id
4547.0
Fda Maximum Daily Dose (Fdamdd)
0.019
Quantitative Estimate Of Drug Likeness（Qed）
0.754