Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38622
- Core Entity Id
- 66394
- Source Entity Count
- 1
- Preferred Name
- 14-o-cinnamoylneoline
- Name En
- Pubchem Id
- 10125392
- Smiles Canonical
- C1=CC(=CN=C1)C2=CC3=NC(=NN3C(=N2)N)C4=CC=CO4
- Molecular Formula
- C14H10N6O
- Molecular Weight
- 278.2750
- Inchikey
- ZBJBBCUUKWBBGA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10N6O/c15-14-17-10(9-3-1-5-16-8-9)7-12-18-13(19-20(12)14)11-4-2-6-21-11/h1-8H,(H2,15,17)
- Isomeric Smiles
- C1=CC(=CN=C1)C2=CC3=NC(=NN3C(=N2)N)C4=CC=CO4
- Cas Id
- Ob Score
- Mol Logp
- 2.0285
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6020
- Polar Surface Area
- 98.0000
- Molecular Volume
- 395.0000
- Alogp
- 1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
14-O-Cinnamoylneoline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
14-O-Cinnamoylneoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14-O-Cinnamoylneoline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
14-O-cinnamoylneoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
14-o-cinnamoylneoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
14-o-cinnamoylneoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
附子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Prepared Common Monkshood Daughter Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(2-Furanyl)-7-(3-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2-Furanyl)-7-(3-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Furan-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Furan-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
540751-27-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
540751-27-7
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50169300
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50169300
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL178589
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL178589
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-133247
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-133247
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL6047316
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6047316
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
附子FU ZIPrepared Common Monkshood Daughter Root2-(2-Furanyl)-7-(3-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine2-Furan-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine540751-27-7BDBM50169300CHEMBL178589DB-133247SCHEMBL6047316
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001538
Tcmid
3713
Sym Map
SMIT14681
Pub Chem
10125392
Tcmbank
TCMBANKIN046966
Etcm Ingredient
14-O-cinnamoylneoline
Itcmdb Generated
ITX-INGREDIENT-05248999EE1D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
1
In Ch I
InChI=1S/C14H10N6O/c15-14-17-10(9-3-1-5-16-8-9)7-12-18-13(19-20(12)14)11-4-2-6-21-11/h1-8H,(H2,15,17)
Mol Wt
278.275
37 Flag
37
C Count
33
Mol Log P
2.0285
N Count
1
O Count
7
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
ZBJBBCUUKWBBGA-UHFFFAOYSA-N
Suppress
0
Tcm Name
附子
Tcm Name2
FU ZI
Mol2 Path
/TCM_database/2007_3d_all/03713.mol2
Reference
4373
Num Hdonors
1
Tcm Name En
Prepared Common Monkshood Daughter Root
Num H Donors
2
Drug Likeness
0.602
Num Hacceptors
7
Isomeric Smiles
C1=CC(=CN=C1)C2=CC3=NC(=NN3C(=N2)N)C4=CC=CO4
Num H Acceptors
8
Canonical Smiles
C1=CC(=CN=C1)C2=CC3=NC(=NN3C(=N2)N)C4=CC=CO4
Herb Alias Names
CHEMBL178589SCHEMBL6047316BDBM50169300DB-1332472-(2-Furanyl)-7-(3-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine2-Furan-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine540751-27-7
Molecular Weight
278.090
Molecular Volume
395
Molecular Weight
568
Molecule Formula
C33H45NO7
Molecular Formula
C14H10N6O
Molecular Formula
C14H10N6O
Num Rotatable Bonds
2
Num Rotatable Bonds
9
Molecular Polar Surface Area
98
Fda Maximum Daily Dose (Fdamdd)
0.928
Quantitative Estimate Of Drug Likeness（Qed）
0.585