Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21614
- Core Entity Id
- 27210
- Source Entity Count
- 1
- Preferred Name
- Homovanillyl alcohol
- Name En
- Pubchem Id
- 16928
- Smiles Canonical
- COC1=C(C=CC(=C1)CCO)O
- Molecular Formula
- C9H12O3
- Molecular Weight
- 168.1920
- Inchikey
- XHUBSJRBOQIZNI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
- Isomeric Smiles
- COC1=C(C=CC(=C1)CCO)O
- Cas Id
- 2380-78-1
- Ob Score
- 38.1997
- Mol Logp
- 0.9356
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Homovanillyl Alcohol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Homovanillyl Alcohol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Homovanillyl alcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Homovanillyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Homovanillyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
148830_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2380-78-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2380-78-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
2380-78-1
Role
alias
Source
TCMBank
Preferred
No
Name
3-METHOXY-4-HYDROXYPHENYLETHANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
3-METHOXY-4-HYDROXYPHENYLETHANOL
Role
alias
Source
TCMBank
Preferred
No
Name
3-METHOXY-4-HYDROXYPHENYLETHANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(2-Hydroxyethyl)-2-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(2-Hydroxyethyl)-2-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(2-Hydroxyethyl)guaiacol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(2-Hydroxyethyl)guaiacol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(2-Hydroxyethyl)guaiacol
Role
alias
Source
TCMBank
Preferred
No
Name
4-(2-hydroxyethyl)-2-methoxyphenol
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxy-3-methoxyphenethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxy-3-methoxyphenethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxy-3-methoxyphenethanol
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxy-3-methoxyphenethyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxy-3-methoxyphenylethyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Benzeneethanol, 4-hydroxy-3-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzeneethanol, 4-hydroxy-3-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzeneethanol, 4-hydroxy-3-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 219-175-1
Role
alias
Source
TCMBank
Preferred
No
Name
Guaiacyl ethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Guaiacyl ethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
MOPET
Role
alias
Source
HERB_v2
Preferred
No
Name
MOPET
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5406563
Role
alias
Source
TCMBank
Preferred
No
Name
Vanillylmethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Vanillylmethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC00388293
Role
alias
Source
TCMBank
Preferred
No
Name
homovanillyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
148830_ALDRICH2380-78-13-METHOXY-4-HYDROXYPHENYLETHANOL4-(2-Hydroxyethyl)-2-methoxyphenol4-(2-Hydroxyethyl)guaiacol4-Hydroxy-3-methoxyphenethanol4-Hydroxy-3-methoxyphenethyl alcohol4-Hydroxy-3-methoxyphenylethyl alcoholBenzeneethanol, 4-hydroxy-3-methoxy-EINECS 219-175-1Guaiacyl ethanolMOPETST5406563VanillylmethanolZINC00388293
Cross References
Trusted external identifiers retained for this final record.
Cas
2380-78-1
Herb
HBIN029519
Npass
NPC221049
Tcmid
9623
Tcmsp
MOL007272
Sym Map
SMIT08740
Pub Chem
16928
Tcmbank
TCMBANKIN047824
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
Mol Wt
168.192
Cas Id
2380-78-1
Smiles
COC1=C(C=CC(=C1)CCO)O
Mol Log P
0.9355999999999998
Version
v1,v2
In Ch Ikey
XHUBSJRBOQIZNI-UHFFFAOYSA-N
Ob Score
38.19970438.199704238.2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/09624.mol2
Reference
660
Num Hdonors
2
Drug Likeness
0.706
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=CC(=C1)CCO)O
Molecule Weight
168.21
Canonical Smiles
COC1=C(C=CC(=C1)CCO)O
Herb Alias Names
2380-78-14-Hydroxy-3-methoxyphenethanol4-(2-Hydroxyethyl)-2-methoxyphenol3-METHOXY-4-HYDROXYPHENYLETHANOLMOPETBenzeneethanol, 4-hydroxy-3-methoxy-VanillylmethanolGuaiacyl ethanol4-(2-Hydroxyethyl)guaiacol
Molecular Weight
168.19
Molecular Formula
C9H12O3
Molecular Formula
C9H12O3
Num Rotatable Bonds
3