Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Meta-analysis: 3Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29099
- Core Entity Id
- 35529
- Source Entity Count
- 1
- Preferred Name
- Paraben
- Name En
- Pubchem Id
- 7175
- Smiles Canonical
- CCCOC(=O)C1=CC=C(C=C1)O
- Molecular Formula
- C10H12O3
- Molecular Weight
- 180.2030
- Inchikey
- QELSKZZBTMNZEB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
- Isomeric Smiles
- CCCOC(=O)C1=CC=C(C=C1)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9590
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Paraben
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Paraben
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Paraben
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-Hydroxybenzoic acid propyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxybenzoic acid propyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
94-13-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
94-13-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Nipasol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nipasol
Role
alias
Source
HERB_v2
Preferred
No
Name
Nipazol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nipazol
Role
alias
Source
HERB_v2
Preferred
No
Name
PROPYLPARABEN
Role
alias
Source
itcmdb_public
Preferred
No
Name
PROPYLPARABEN
Role
alias
Source
HERB_v2
Preferred
No
Name
Propagin
Role
alias
Source
HERB_v2
Preferred
No
Name
Propagin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propyl 4-hydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Propyl 4-hydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propyl p-hydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Propyl p-hydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tegosept P
Role
alias
Source
HERB_v2
Preferred
No
Name
Tegosept P
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-Hydroxybenzoic acid propyl ester94-13-3NipasolNipazolPROPYLPARABENPropaginPropyl 4-hydroxybenzoatePropyl p-hydroxybenzoateTegosept P
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038826
Npass
NPC94298
Tcmid
33584
Pub Chem
7175
Tcmbank
TCMBANKIN002474
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
Mol Wt
180.203
Smiles
CCCOC(=O)C1=CC=C(C=C1)O
Mol Log P
1.959
In Ch Ikey
QELSKZZBTMNZEB-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.723
Num Hacceptors
3
Isomeric Smiles
CCCOC(=O)C1=CC=C(C=C1)O
Canonical Smiles
CCCOC(=O)C1=CC=C(C=C1)O
Herb Alias Names
PROPYLPARABENPropyl 4-hydroxybenzoate94-13-3Propyl parabenPropyl p-hydroxybenzoateNipasolNipazolPropagin4-Hydroxybenzoic acid propyl esterTegosept P
Molecular Weight
180.2 g/mol
Molecular Formula
C10H12O3
Molecular Formula
C10H12O3
Num Rotatable Bonds
3