Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4448
- Core Entity Id
- 8132
- Source Entity Count
- 1
- Preferred Name
- 3-hydroxy-1-(3,5-dimethoxy-4-hydroxyphenyl)propan-1-one
- Name En
- Pubchem Id
- 54353627
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C(=O)CCO
- Molecular Formula
- C11H14O5
- Molecular Weight
- 226.2280
- Inchikey
- UHOAHNLBCNGCHE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H14O5/c1-15-9-5-7(8(13)3-4-12)6-10(16-2)11(9)14/h5-6,12,14H,3-4H2,1-2H3
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)C(=O)CCO
- Cas Id
- Ob Score
- 9.9050
- Mol Logp
- 0.9745
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxy-1-(3,5-Dimethoxy-4-Hydroxyphenyl)Propan-1-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-hydroxy-1-(3,5-dimethoxy-4-hydroxyphenyl)propan-1-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-hydroxy-1-(3,5-dimethoxy-4-hydroxyphenyl)propan-1-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-hydroxy-1-(3,5-dimethoxy-4-hydroxyphenyl)propan-1-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-hydroxy-1-(3,5-dimethoxy-4-hydroxyphenyl)propan-1-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-(4-Hydroxy-3,5-dimethoxyphenyl)-1-propene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(4-Hydroxy-3,5-dimethoxyphenyl)-1-propene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Propanone, 3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Propanone, 3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
136196-47-9
Role
alias
Source
HERB_v2
Preferred
No
Name
136196-47-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4'-Dihydroxy-3',5'-dimethoxypropiophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4'-Dihydroxy-3',5'-dimethoxypropiophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Dihydroxy-3-methoxypropiophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Dihydroxy-3-methoxypropiophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4DQC3X29PJ
Role
alias
Source
HERB_v2
Preferred
No
Name
4DQC3X29PJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50710768
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50710768
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Hydroxypropiosyringone
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Hydroxypropiosyringone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1-(4-Hydroxy-3,5-dimethoxyphenyl)-1-propene-1,3-diol1-Propanone, 3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-136196-47-93,4'-Dihydroxy-3',5'-dimethoxypropiophenone3,4-Dihydroxy-3-methoxypropiophenone3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one4DQC3X29PJDTXSID50710768beta-Hydroxypropiosyringone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008616HBIN008620
Npass
NPC4796
Tcmid
41147
Tcmsp
MOL007569
Sym Map
SMIT08979
Pub Chem
54353627
Tcmbank
TCMBANKIN014899TCMBANKIN005771
Etcm Ingredient
3-hydroxy-1-(3,5-dimethoxy-4-hydroxyphenyl)propan-1-one
Itcmdb Generated
ITX-INGREDIENT-AFF1407A3F18
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H14O5/c1-15-9-5-7(8(13)3-4-12)6-10(16-2)11(9)14/h5-6,12,14H,3-4H2,1-2H3
Mol Wt
226.228
Smiles
COC1=CC(=CC(=C1O)OC)C(=O)CCO
Mol Log P
0.9744999999999997
Version
v1,v2
In Ch Ikey
UHOAHNLBCNGCHE-UHFFFAOYSA-N
Ob Score
9.9059.9054689.905468016
Suppress
0
Num Hdonors
2
Drug Likeness
0.732
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)C(=O)CCO
Molecule Weight
226.25
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C(=O)CCO
Herb Alias Names
136196-47-93-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one3,4'-Dihydroxy-3',5'-dimethoxypropiophenone4DQC3X29PJbeta-Hydroxypropiosyringone3,4-Dihydroxy-3-methoxypropiophenoneDTXSID507107683,4/'-Dihydroxy-3/',5/'-diMethoxypropiophenone1-(4-Hydroxy-3,5-dimethoxyphenyl)-1-propene-1,3-diol1-Propanone, 3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-
Molecular Weight
226.080
Molecular Weight
226.25
Molecular Formula
C11H14O5
Molecular Formula
C11H14O5
Molecular Formula
C11H14O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.041
Quantitative Estimate Of Drug Likeness（Qed）
0.732