Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17174
- Core Entity Id
- 22259
- Source Entity Count
- 1
- Preferred Name
- Dihydrosinapyl alcohol
- Name En
- Pubchem Id
- 529893
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)CCCO
- Molecular Formula
- C11H16O4
- Molecular Weight
- 212.2450
- Inchikey
- PHOPGVYKZWPIGA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)CCCO
- Cas Id
- 20736-25-8
- Ob Score
- 8.0320
- Mol Logp
- 1.3343
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydrosinapyl Alcohol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dihydrosinapyl Alcohol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dihydrosinapyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydrosinapyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydrosinapyl alcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl)
Role
alias
Source
TCMBank
Preferred
No
Name
1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl)
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl)
Role
alias
Source
HERB_v2
Preferred
No
Name
20736-25-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
20736-25-8
Role
alias
Source
TCMBank
Preferred
No
Name
20736-25-8
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Dimethoxy-4-hydroxyhydrocinnamyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-Dimethoxy-4-hydroxyhydrocinnamyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(3-hydroxypropyl)-2,6-dimethoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(3-hydroxypropyl)-2,6-dimethoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(3-hydroxypropyl)-2,6-dimethoxyphenol
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenepropanol, 4-hydroxy-3,5-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzenepropanol, 4-hydroxy-3,5-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3793371
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3793371
Role
alias
Source
itcmdb_public
Preferred
No
Name
DIHYDROSINAPYLALCOHOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
DIHYDROSINAPYLALCOHOL
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00016572
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00016572
Role
alias
Source
itcmdb_public
Preferred
No
Name
bmse000586
Role
alias
Source
HERB_v2
Preferred
No
Name
bmse000586
Role
alias
Source
itcmdb_public
Preferred
No
Name
dihydrosinapyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl)20736-25-83,5-Dimethoxy-4-hydroxyhydrocinnamyl alcohol4-(3-hydroxypropyl)-2,6-dimethoxyphenolBenzenepropanol, 4-hydroxy-3,5-dimethoxy-CHEMBL3793371DIHYDROSINAPYLALCOHOLMFCD00016572bmse000586
Cross References
Trusted external identifiers retained for this final record.
Cas
20736-25-8
Herb
HBIN023983
Npass
NPC49341
Tcmid
37505
Tcmsp
MOL005165
Sym Map
SMIT06964
Pub Chem
529893
Tcmbank
TCMBANKIN014983
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
Mol Wt
212.2449999999999
Cas Id
20736-25-8
Smiles
COC1=CC(=CC(=C1O)OC)CCCO
Mol Log P
1.3343
Version
v1,v2
In Ch Ikey
PHOPGVYKZWPIGA-UHFFFAOYSA-N
Ob Score
8.0328.0324679258.032468
Suppress
0
Num Hdonors
2
Drug Likeness
0.773
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)CCCO
Molecule Weight
212.27
Canonical Smiles
COC1=CC(=CC(=C1O)OC)CCCO
Herb Alias Names
4-(3-hydroxypropyl)-2,6-dimethoxyphenol20736-25-8DIHYDROSINAPYLALCOHOL1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl)Benzenepropanol, 4-hydroxy-3,5-dimethoxy-MFCD00016572bmse0005863,5-Dimethoxy-4-hydroxyhydrocinnamyl alcoholCHEMBL3793371
Molecular Weight
212.24
Molecular Formula
C11H16O4
Molecular Formula
C11H16O4
Num Rotatable Bonds
5