Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Meta-analysis: 11Target: 19Links: 43
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29648
- Core Entity Id
- 36139
- Source Entity Count
- 1
- Preferred Name
- Phenylephrine
- Name En
- Pubchem Id
- 6041
- Smiles Canonical
- CNCC(C1=CC(=CC=C1)O)O
- Molecular Formula
- C9H13NO2
- Molecular Weight
- 167.2080
- Inchikey
- SONNWYBIRXJNDC-VIFPVBQESA-N
- Inchi
- InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
- Isomeric Smiles
- CNC[C@@H](C1=CC(=CC=C1)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6450
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-phenylephrine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Phenylephrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Phenylephrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Phenylephrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phenylephrine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
59-42-7
Role
alias
Source
HERB_v2
Preferred
No
Name
59-42-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Phenylephrine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Phenylephrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Metasympatol
Role
alias
Source
HERB_v2
Preferred
No
Name
Metasympatol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Metasynephrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Metasynephrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mezaton
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mezaton
Role
alias
Source
HERB_v2
Preferred
No
Name
Neosynephrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Neosynephrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
m-Oxedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
m-Oxedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
m-Sympathol
Role
alias
Source
HERB_v2
Preferred
No
Name
m-Sympathol
Role
alias
Source
itcmdb_public
Preferred
No
Name
m-Sympatol
Role
alias
Source
HERB_v2
Preferred
No
Name
m-Sympatol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carney glycosides
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-phenylephrine59-42-7L-PhenylephrineMetasympatolMetasynephrineMezatonNeosynephrinem-Oxedrinem-Sympatholm-SympatolCarney glycosides
Cross References
Trusted external identifiers retained for this final record.
Hit
C0301
Herb
HBIN039507
Npass
NPC137096
Tcmid
3336136687
Sym Map
SMIT26091
Pub Chem
6041
Tcmbank
TCMBANKIN005364TCMBANKIN061383
Etcm Ingredient
(-)-phenylephrine
Itcmdb Generated
ITX-INGREDIENT-4EEB5492C6ADITX-INGREDIENT-6941F0444968
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
Mol Wt
167.208
Smiles
CNCC(C1=CC(=CC=C1)O)O
Mol Log P
0.6449999999999998
Version
v2
In Ch Ikey
SONNWYBIRXJNDC-VIFPVBQESA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.619
Num Hacceptors
3
Isomeric Smiles
CNC[C@@H](C1=CC(=CC=C1)O)O
Canonical Smiles
CNCC(C1=CC(=CC=C1)O)O
Herb Alias Names
59-42-7L-PhenylephrineMetasynephrinem-Oxedrinem-SympatolMetasympatolNeosynephrineMezatonm-Sympathol
Molecular Weight
167.090
Molecular Weight
167.2 g/mol
Molecular Formula
C9H13NO2
Molecular Formula
C9H13NO2
Molecular Formula
C9H13NO2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.954
Quantitative Estimate Of Drug Likeness（Qed）
0.619