Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1249
- Core Entity Id
- 4583
- Source Entity Count
- 1
- Preferred Name
- 2′,6 ′-dimethoxy-4,4 ′-dihydroxychalcone
- Name En
- Pubchem Id
- 11022960
- Smiles Canonical
- COC1=CC(=CC(=C1C(=O)C=CC2=CC=C(C=C2)O)OC)O
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- SJULMVKFURWCFM-VMPITWQZSA-N
- Inchi
- InChI=1S/C17H16O5/c1-21-15-9-13(19)10-16(22-2)17(15)14(20)8-5-11-3-6-12(18)7-4-11/h3-10,18-19H,1-2H3/b8-5+
- Isomeric Smiles
- COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=C(C=C2)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.0111
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',6'-Dimethoxy-4,4'-dihydroxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2′,6 ′-dimethoxy-4,4 ′-dihydroxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2′,6 ′-dimethoxy-4,4 ′-dihydroxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2′,6 ′-dimethoxy-4,4 ′-dihydroxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-1-(4-Hydroxy-2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-(4-Hydroxy-2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
123316-64-3
Role
alias
Source
HERB_v2
Preferred
No
Name
123316-64-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
2'-O-Methylhelichrysetin
Role
alias
Source
HERB_v2
Preferred
No
Name
2-O-Methylhelichrysetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-Dihydroxy-2',6'-dimethoxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4'-Dihydroxy-2',6'-dimethoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CH625
Role
alias
Source
HERB_v2
Preferred
No
Name
CH625
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174868
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174868
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL449907
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL449907
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4834935
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4834935
Role
alias
Source
itcmdb_public
Preferred
No
Name
starbld0000817
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0000817
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2',6'-Dimethoxy-4,4'-dihydroxychalcone(E)-1-(4-Hydroxy-2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one123316-64-32'-O-Methylhelichrysetin2-O-Methylhelichrysetin4,4'-Dihydroxy-2',6'-dimethoxychalconeCH625CHEBI:174868CHEMBL449907SCHEMBL4834935starbld0000817
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004895
Npass
NPC192304
Tcmid
6216
Pub Chem
11022960
Tcmbank
TCMBANKIN000364
Etcm Ingredient
2',6'-Dimethoxy-4,4'-dihydroxychalcone
Itcmdb Generated
ITX-INGREDIENT-3B594F9504E1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-21-15-9-13(19)10-16(22-2)17(15)14(20)8-5-11-3-6-12(18)7-4-11/h3-10,18-19H,1-2H3/b8-5+
Mol Wt
300.3100000000001
Smiles
COC1=CC(=CC(=C1C(=O)C=CC2=CC=C(C=C2)O)OC)O
Mol Log P
3.011100000000002
In Ch Ikey
SJULMVKFURWCFM-VMPITWQZSA-N
Num Hdonors
2
Drug Likeness
0.655
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=C(C=C2)O)OC)O
Canonical Smiles
COC1=CC(=CC(=C1C(=O)C=CC2=CC=C(C=C2)O)OC)O
Herb Alias Names
2'-O-Methylhelichrysetin123316-64-34,4'-Dihydroxy-2',6'-dimethoxychalcone2-O-Methylhelichrysetin(E)-1-(4-Hydroxy-2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneCH625starbld0000817CHEMBL449907SCHEMBL4834935CHEBI:174868
Molecular Weight
300.100
Molecular Formula
C17H16O5
Molecular Formula
C17H16O5
Molecular Formula
C17H16O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.838
Quantitative Estimate Of Drug Likeness（Qed）
0.655