Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6721
- Core Entity Id
- 10650
- Source Entity Count
- 1
- Preferred Name
- 5,7-dimethoxy-4'-hydroxyflavone
- Name En
- Pubchem Id
- 161172
- Smiles Canonical
- COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=C(C=C3)O
- Molecular Formula
- C17H14O5
- Molecular Weight
- 298.2940
- Inchikey
- ARICZLGTUHLTFQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O5/c1-20-12-7-15(21-2)17-13(19)9-14(22-16(17)8-12)10-3-5-11(18)6-4-10/h3-9,18H,1-2H3
- Isomeric Smiles
- COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=C(C=C3)O
- Cas Id
- 16290-50-9
- Ob Score
- 26.3227
- Mol Logp
- 3.1828
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7- dimethoxy- 4' hydroxy flavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7-Dimethoxy-4'-Hydroxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,7-Dimethoxy-4'-hydroxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,7-dimethoxy-4'-hydroxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7-dimethoxy-4'-hydroxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
16290-50-9
Role
alias
Source
TCMBank
Preferred
No
Name
16290-50-9
Role
alias
Source
HERB_v2
Preferred
No
Name
16290-50-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(4-hydroxyphenyl)-5,7-dimethoxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
2-(4-hydroxyphenyl)-5,7-dimethoxy-4h-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(4-hydroxyphenyl)-5,7-dimethoxy-4h-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(4-hydroxyphenyl)-5,7-dimethoxy-chromone
Role
alias
Source
TCMBank
Preferred
No
Name
2-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
4'-hydroxy-5,7-dimethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-hydroxy-5,7-dimethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)-5,7-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)-5,7-dimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)-5,7-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dimethoxy-4'-hydroxyflavanone
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-Dimethoxy-4/'-hydroxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dimethoxy-4/'-hydroxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dimethoxyapigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dimethoxyapigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dmhf
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dmhf
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dmhf
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-045928
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID20167487
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20167487
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,7- dimethoxy- 4' hydroxy flavone16290-50-92-(4-hydroxyphenyl)-5,7-dimethoxy-4-chromenone2-(4-hydroxyphenyl)-5,7-dimethoxy-4h-chromen-4-one2-(4-hydroxyphenyl)-5,7-dimethoxy-chromone2-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one4'-hydroxy-5,7-dimethoxyflavone4H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)-5,7-dimethoxy-5,7-Dimethoxy-4'-hydroxyflavanone5,7-Dimethoxy-4/'-hydroxyflavone5,7-Dimethoxyapigenin5,7-DmhfAIDS-045928DTXSID20167487
Cross References
Trusted external identifiers retained for this final record.
Cas
16290-50-9
Herb
HBIN011312HBIN011313
Npass
NPC65197
Tcmid
41531
Tcmsp
MOL012100
Sym Map
SMIT12903
Pub Chem
161172
Tcmbank
TCMBANKIN061877
Etcm Ingredient
5,7-Dimethoxy-4'-hydroxyflavone
Itcmdb Generated
ITX-INGREDIENT-0428EC9ABCA7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O5/c1-20-12-7-15(21-2)17-13(19)9-14(22-16(17)8-12)10-3-5-11(18)6-4-10/h3-9,18H,1-2H3
Mol Wt
298.294
Cas Id
16290-50-9
Smiles
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=C(C=C3)O
Mol Log P
3.182800000000002
Version
v1,v2
In Ch Ikey
ARICZLGTUHLTFQ-UHFFFAOYSA-N
Ob Score
26.3226736926.32267426.323
Suppress
0
Num Hdonors
1
Drug Likeness
0.804
Num Hacceptors
5
Isomeric Smiles
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=C(C=C3)O
Molecule Weight
298.31
Canonical Smiles
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=C(C=C3)O
Herb Alias Names
16290-50-92-(4-hydroxyphenyl)-5,7-dimethoxy-4h-chromen-4-one2-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one5,7-Dimethoxy-4/'-hydroxyflavone4'-hydroxy-5,7-dimethoxyflavoneDTXSID201674874H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)-5,7-dimethoxy-5,7-Dmhf5,7-Dimethoxyapigenin
Molecular Weight
298.080
Molecular Weight
298.29 g/mol
Molecular Formula
C17H14O5
Molecular Formula
C17H14O5
Molecular Formula
C17H14O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.522
Quantitative Estimate Of Drug Likeness（Qed）
0.804