Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 5Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2448
- Core Entity Id
- 5908
- Source Entity Count
- 1
- Preferred Name
- 2-phenylquinoline
- Name En
- Pubchem Id
- 71545
- Smiles Canonical
- C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
- Molecular Formula
- C15H11N
- Molecular Weight
- 205.2600
- Inchikey
- FSEXLNMNADBYJU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H
- Isomeric Smiles
- C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
- Cas Id
- Ob Score
- Mol Logp
- 3.9018
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Phenylquinoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-phenylquinoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-phenylquinoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
长花图腊树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG HUA TU LA SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Longflower Galipea*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
.alpha.-Phenylquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
.alpha.-Phenylquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-phenyl quinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-phenyl quinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
612-73-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
612-73-7
Role
alias
Source
HERB_v2
Preferred
No
Name
612-96-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
612-96-4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL89786
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL89786
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 210-326-7
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 210-326-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00011568
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00011568
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinoline, 2-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinoline, 2-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长花图腊树CHANG HUA TU LA SHULongflower Galipea*.alpha.-Phenylquinoline2-phenyl quinoline612-73-7612-96-4CHEMBL89786EINECS 210-326-7MFCD00011568Quinoline, 2-phenyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006325
Npass
NPC162689
Tcmid
17121
Pub Chem
71545
Tcmbank
TCMBANKIN041895
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H
Mol Wt
205.26
Mol Log P
3.901800000000002
In Ch Ikey
FSEXLNMNADBYJU-UHFFFAOYSA-N
Tcm Name
长花图腊树
Tcm Name2
CHANG HUA TU LA SHU
Mol2 Path
/TCM_database/2007_3d_all/17135.mol2
Reference
3617, 3601,3618
Num Hdonors
0
Tcm Name En
Longflower Galipea*
Drug Likeness
0.587
Num Hacceptors
1
Isomeric Smiles
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
Canonical Smiles
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
Herb Alias Names
612-96-4Quinoline, 2-phenyl-2-phenyl quinoline.alpha.-PhenylquinolineMFCD00011568612-73-72-Phenyl-quinolineEINECS 210-326-7CHEMBL89786
Molecular Weight
205.25 g/mol
Molecular Formula
C15H11N
Num Rotatable Bonds
1