Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1033
- Core Entity Id
- 4343
- Source Entity Count
- 1
- Preferred Name
- 2',5'-dimethoxyflavone
- Name En
- Pubchem Id
- 4231835
- Smiles Canonical
- COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=CC=CC=C3O2
- Molecular Formula
- C17H14O4
- Molecular Weight
- 282.2950
- Inchikey
- YVAMPWXEJCQAJJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O4/c1-19-11-7-8-15(20-2)13(9-11)17-10-14(18)12-5-3-4-6-16(12)21-17/h3-10H,1-2H3
- Isomeric Smiles
- COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=CC=CC=C3O2
- Cas Id
- Ob Score
- Mol Logp
- 3.4772
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',5'-Dimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',5'-dimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2',5'-dimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
黄花九轮草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG HUA JIU LUN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Officinal Primrose*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2'-5'-DIMETHOXY FLAVONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
2'-5'-DIMETHOXY FLAVONE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,5-dimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2,5-dimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,5-dimethoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,5-dimethoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
74670-10-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
74670-10-3
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-055898
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-055898
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID50351933
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID50351933
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00401078
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00401078
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄花九轮草HUANG HUA JIU LUN CAOOfficinal Primrose*2'-5'-DIMETHOXY FLAVONE2-(2,5-dimethoxyphenyl)-4H-chromen-4-one2-(2,5-dimethoxyphenyl)chromen-4-one4H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-74670-10-3DB-055898DTXCID50351933DTXSID00401078
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004644
Npass
NPC307615
Tcmid
6224
Pub Chem
4231835
Tcmbank
TCMBANKIN041657
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O4/c1-19-11-7-8-15(20-2)13(9-11)17-10-14(18)12-5-3-4-6-16(12)21-17/h3-10H,1-2H3
Mol Wt
282.295
Mol Log P
3.477200000000003
In Ch Ikey
YVAMPWXEJCQAJJ-UHFFFAOYSA-N
Tcm Name
黄花九轮草
Tcm Name2
HUANG HUA JIU LUN CAO
Mol2 Path
/TCM_database/2007_3d_all/06225.mol2
Reference
5275
Num Hdonors
0
Tcm Name En
Officinal Primrose*
Drug Likeness
0.738
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=CC=CC=C3O2
Canonical Smiles
COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=CC=CC=C3O2
Herb Alias Names
74670-10-32-(2,5-dimethoxyphenyl)-4H-chromen-4-oneDTXSID004010784H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-2-(2,5-dimethoxyphenyl)chromen-4-one2'-5'-DIMETHOXY FLAVONEDTXCID503519332-(2,5-Dimethoxy-phenyl)-chromen-4-oneDB-055898
Molecular Weight
282.29 g/mol
Molecular Formula
C17H14O4
Num Rotatable Bonds
3