Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5974
- Core Entity Id
- 9824
- Source Entity Count
- 1
- Preferred Name
- 4-guaethol
- Name En
- Pubchem Id
- 5354280
- Smiles Canonical
- CCOC1=C(C=C(C=C1)C=CC)O
- Molecular Formula
- C11H14O2
- Molecular Weight
- 178.2310
- Inchikey
- RADIRXJQODWKGQ-HWKANZROSA-N
- Inchi
- InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
- Isomeric Smiles
- CCOC1=C(C=C(C=C1)/C=C/C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8240
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4- guaethol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-guaethol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-guaethol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-Ethoxy-5-(1-propenyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Ethoxy-5-(1-propenyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Ethoxy-5-propenylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Ethoxy-5-propenylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Ethoxy-m-anol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Ethoxy-m-anol
Role
alias
Source
itcmdb_public
Preferred
No
Name
94-86-0
Role
alias
Source
HERB_v2
Preferred
No
Name
94-86-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxy methyl anethol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxy methyl anethol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isosafroeugenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isosafroeugenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propenylguaethol
Role
alias
Source
HERB_v2
Preferred
No
Name
Propenylguaethol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vanitrope
Role
alias
Source
HERB_v2
Preferred
No
Name
Vanitrope
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-2-Ethoxy-5-(1-propenyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-2-Ethoxy-5-(1-propenyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4- guaethol2-Ethoxy-5-(1-propenyl)phenol2-Ethoxy-5-propenylphenol6-Ethoxy-m-anol94-86-0Hydroxy methyl anetholIsosafroeugenolPropenylguaetholVanitropetrans-2-Ethoxy-5-(1-propenyl)phenol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010402
Npass
NPC287216
Tcmid
37706
Pub Chem
5354280
Tcmbank
TCMBANKIN015178
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
Mol Wt
178.231
Smiles
CCOC1=C(C=C(C=C1)C=CC)O
Mol Log P
2.824000000000002
In Ch Ikey
RADIRXJQODWKGQ-HWKANZROSA-N
Num Hdonors
1
Drug Likeness
0.771
Num Hacceptors
2
Isomeric Smiles
CCOC1=C(C=C(C=C1)/C=C/C)O
Canonical Smiles
CCOC1=C(C=C(C=C1)C=CC)O
Herb Alias Names
Vanitrope94-86-0Propenylguaethol2-Ethoxy-5-(1-propenyl)phenolPropenyl guaetholIsosafroeugenol2-Ethoxy-5-propenylphenoltrans-2-Ethoxy-5-(1-propenyl)phenol6-Ethoxy-m-anolHydroxy methyl anethol
Molecular Formula
C11H14O2
Molecular Formula
C11H14O2
Num Rotatable Bonds
3