Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33514
- Core Entity Id
- 40442
- Source Entity Count
- 1
- Preferred Name
- Sobrol a
- Name En
- Pubchem Id
- 8434
- Smiles Canonical
- CCOC(=O)C1=CC=C(C=C1)O
- Molecular Formula
- C9H10O3
- Molecular Weight
- 166.1760
- Inchikey
- NUVBSKCKDOMJSU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
- Isomeric Smiles
- CCOC(=O)C1=CC=C(C=C1)O
- Cas Id
- 120-47-8
- Ob Score
- 64.9815
- Mol Logp
- 1.5689
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sobrol A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sobrol a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sobrol a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
120-47-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
120-47-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxybenzoic acid ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxybenzoic acid ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
ETHYL 4-HYDROXYBENZOATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
ETHYL 4-HYDROXYBENZOATE
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl p-hydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl p-hydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl parahydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl parahydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl parasept
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl parasept
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethylparaben
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethylparaben
Role
alias
Source
HERB_v2
Preferred
No
Name
Mycocten
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mycocten
Role
alias
Source
HERB_v2
Preferred
No
Name
Tegosept E
Role
alias
Source
HERB_v2
Preferred
No
Name
Tegosept E
Role
alias
Source
itcmdb_public
Preferred
No
Name
Catalase
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
catalase
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
120-47-84-Hydroxybenzoic acid ethyl esterETHYL 4-HYDROXYBENZOATEEthyl p-hydroxybenzoateEthyl parahydroxybenzoateEthyl paraseptEthylparabenMycoctenTegosept ECatalase
Cross References
Trusted external identifiers retained for this final record.
Cas
120-47-8
Herb
HBIN044240HBIN019906HBIN025867
Npass
NPC27633
Tcmid
239883916439656
Tcmsp
MOL001873
Sym Map
SMIT04224SMIT18489
Pub Chem
8434
Tcmbank
TCMBANKIN061257
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
Mol Wt
166.176
Cas Id
120-47-8
Smiles
CCOC(=O)C1=CC=C(C=C1)O
Mol Log P
1.5689
Version
v1,v2
In Ch Ikey
NUVBSKCKDOMJSU-UHFFFAOYSA-N
Ob Score
64.9815400864.982
Suppress
0
Num Hdonors
1
Drug Likeness
0.678
Num Hacceptors
3
Isomeric Smiles
CCOC(=O)C1=CC=C(C=C1)O
Molecule Weight
166.19
Canonical Smiles
CCOC(=O)C1=CC=C(C=C1)O
Herb Alias Names
EthylparabenETHYL 4-HYDROXYBENZOATE120-47-8Ethyl parabenEthyl p-hydroxybenzoateTegosept EEthyl parahydroxybenzoateMycocten4-Hydroxybenzoic acid ethyl esterEthyl parasept
Molecular Weight
166.17 g/mol
Molecular Formula
C9H10O3
Molecular Formula
C9H10O3
Num Rotatable Bonds
2