Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 2Herb: 12Ingredient: 1Meta-analysis: 10Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9707
- Core Entity Id
- 13958
- Source Entity Count
- 1
- Preferred Name
- Adrenaline
- Name En
- Pubchem Id
- 441411
- Smiles Canonical
- CNCC(C1=CC(=C(C=C1)O)O)O.Cl
- Molecular Formula
- C9H13NO3
- Molecular Weight
- 183.2070
- Inchikey
- UCTWMZQNUQWSLP-VIFPVBQESA-N
- Inchi
- InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
- Isomeric Smiles
- CNC[C@@H](C1=CC(=C(C=C1)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.3506
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Adrenaline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Adrenaline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Adrenaline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Adrenaline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Adrenaline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
香蕉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIANG JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Banana
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
51-43-4
Role
alias
Source
HERB_v2
Preferred
No
Name
51-43-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Adnephrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Adnephrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Adrenalin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Adrenalin
Role
alias
Source
HERB_v2
Preferred
No
Name
Chelafrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Chelafrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-epinephrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-epinephrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Levoepinephrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Levoepinephrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nephridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nephridine
Role
alias
Source
HERB_v2
Preferred
No
Name
adrenaline
Role
alias
Source
TCMBank
Preferred
No
Name
epinephrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
epinephrine
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Adrenaline
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-Adrenaline
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
香蕉XIANG JIAOCommon Banana51-43-4AdnephrineAdrenalinChelafrinL-epinephrineLevoepinephrineNephridineepinephrinel-Adrenaline
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014742
Tcmid
653
Sym Map
SMIT22211
Tcm Id
20982
Pub Chem
4414115816
Tcmbank
TCMBANKIN042107
Itcmdb Generated
ITX-INGREDIENT-4E9F8CCCB7AC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
Mol Wt
183.207
Mol Log P
0.3505999999999999
Version
v2
In Ch Ikey
UCTWMZQNUQWSLP-VIFPVBQESA-N
Suppress
0
Tcm Name
香蕉
Tcm Name2
XIANG JIAO
Mol2 Path
/TCM_database/2007_3d_all/00653.mol2
Reference
6, 660, 1521
Num Hdonors
4
Tcm Name En
Common Banana
Drug Likeness
0.51
Num Hacceptors
4
Isomeric Smiles
CNC[C@@H](C1=CC(=C(C=C1)O)O)O
Canonical Smiles
CNCC(C1=CC(=C(C=C1)O)O)O
Herb Alias Names
epinephrinel-Adrenaline51-43-4L-epinephrineAdrenalinLevoepinephrineNephridineAdnephrineChelafrin
Molecular Weight
219.66 g/mol
Molecular Formula
C9H13NO3
Num Rotatable Bonds
3