Relationship Network
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Herb: 1Ingredient: 1Target: 14Links: 16
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1252
- Core Entity Id
- 4586
- Source Entity Count
- 1
- Preferred Name
- 2,6-dimethoxy-4-prop-1-enylphenol
- Name En
- Pubchem Id
- 176439
- Smiles Canonical
- CC=CC1=CC(=C(C(=C1)OC)O)OC
- Molecular Formula
- C11H14O3
- Molecular Weight
- 194.2300
- Inchikey
- YFHOHYAUMDHSBX-SNAWJCMRSA-N
- Inchi
- InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4-7,12H,1-3H3/b5-4+
- Isomeric Smiles
- C/C=C/C1=CC(=C(C(=C1)OC)O)OC
- Cas Id
- 6635-22-9
- Ob Score
- 14.3020
- Mol Logp
- 2.4425
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6-Dimethoxy-4-Prop-1-Enylphenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,6-Dimethoxy-4-Prop-1-Enylphenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,6-dimethoxy-4-prop-1-enylphenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,6-dimethoxy-4-prop-1-enylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,6-dimethoxy-4-prop-1-enylphenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6-dimethoxy-4-prop-1-enylphenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-2,6-Dimethoxy-4-(prop-1-en-1-yl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-2,6-Dimethoxy-4-(prop-1-en-1-yl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dimethoxy-4-(1-propenyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dimethoxy-4-(1-propenyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dimethoxy-4-propenylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dimethoxy-4-propenylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol
Role
alias
Source
TCMBank
Preferred
No
Name
2,6-dimethoxy-4-prop-1-enyl-phenol
Role
alias
Source
TCMBank
Preferred
No
Name
20675-95-0
Role
alias
Source
HERB_v2
Preferred
No
Name
20675-95-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Propenyl-2,6-dimethoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Propenyl-2,6-dimethoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6635-22-9
Role
alias
Source
TCMBank
Preferred
No
Name
6635-22-9
Role
alias
Source
HERB_v2
Preferred
No
Name
6635-22-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC16952
Role
alias
Source
TCMBank
Preferred
No
Name
Phenol, 2,6-dimethoxy-4-(1E)-1-propen-1-yl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2,6-dimethoxy-4-(1E)-1-propen-1-yl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2,6-dimethoxy-4-(1E)-1-propenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2,6-dimethoxy-4-(1E)-1-propenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-(1-propenyl)-2,6-dimethoxy, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
trans-4-Propenylsyringol
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-4-Propenylsyringol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-2,6-Dimethoxy-4-(prop-1-en-1-yl)phenol2,6-Dimethoxy-4-(1-propenyl)phenol2,6-Dimethoxy-4-propenylphenol2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol2,6-dimethoxy-4-prop-1-enyl-phenol20675-95-04-Propenyl-2,6-dimethoxyphenol6635-22-9NSC16952Phenol, 2,6-dimethoxy-4-(1E)-1-propen-1-yl-Phenol, 2,6-dimethoxy-4-(1E)-1-propenyl-Phenol, 4-(1-propenyl)-2,6-dimethoxy, (E)-trans-4-Propenylsyringol
Cross References
Trusted external identifiers retained for this final record.
Cas
6635-22-9
Herb
HBIN004899
Tcmsp
MOL013311
Sym Map
SMIT13978
Pub Chem
1764395352905
Tcmbank
TCMBANKIN017821
Etcm Ingredient
2,6-dimethoxy-4-prop-1-enylphenol
Itcmdb Generated
ITX-INGREDIENT-470162FB914E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4-7,12H,1-3H3/b5-4+
Mol Wt
194.23
Cas Id
6635-22-9
Smiles
CC=CC1=CC(=C(C(=C1)OC)O)OC
Mol Log P
2.442500000000001
Version
v1,v2
In Ch Ikey
YFHOHYAUMDHSBX-SNAWJCMRSA-N
Ob Score
14.30214.3024355714.302436
Suppress
0
Num Hdonors
1
Drug Likeness
0.803
Num Hacceptors
3
Isomeric Smiles
C/C=C/C1=CC(=C(C(=C1)OC)O)OC
Molecule Weight
194.25
Canonical Smiles
CC=CC1=CC(=C(C(=C1)OC)O)OC
Herb Alias Names
20675-95-04-Propenyl-2,6-dimethoxyphenolPhenol, 2,6-dimethoxy-4-(1E)-1-propenyl-(E)-2,6-Dimethoxy-4-(prop-1-en-1-yl)phenoltrans-4-Propenylsyringol2,6-dimethoxy-4-[(E)-prop-1-enyl]phenol6635-22-92,6-Dimethoxy-4-(1-propenyl)phenolPhenol, 2,6-dimethoxy-4-(1E)-1-propen-1-yl-2,6-Dimethoxy-4-propenylphenol
Molecular Weight
194.090
Molecular Weight
194.23
Molecular Formula
C11H14O3
Molecular Formula
C11H14O3
Molecular Formula
C11H14O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.050
Quantitative Estimate Of Drug Likeness（Qed）
0.803