Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6727
- Core Entity Id
- 10656
- Source Entity Count
- 1
- Preferred Name
- 5,7-dimethoxyflavone
- Name En
- Pubchem Id
- 88881
- Smiles Canonical
- COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
- Molecular Formula
- C17H14O4
- Molecular Weight
- 282.2950
- Inchikey
- JRFZSUMZAUHNSL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
- Isomeric Smiles
- COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
- 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
5,7-dimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7-dimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7-dimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
21392-57-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
21392-57-4
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dimethoxy-2-phenyl-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dimethoxy-2-phenyl-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dimethoxy-2-phenylchromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dimethoxy-2-phenylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysin 5,7-dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysin 5,7-dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysin DME
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysin DME
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysin dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysin dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimethylchrysin
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimethylchrysin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
21392-57-45,7-Dimethoxy-2-phenyl-4H-chromen-4-one5,7-dimethoxy-2-phenylchromen-4-oneChrysin 5,7-dimethyl etherChrysin DMEChrysin dimethyl etherDimethylchrysin
Cross References
Trusted external identifiers retained for this final record.
Hit
C1238
Herb
HBIN011322
Npass
NPC278556
Tcmid
40674
Pub Chem
88881
Tcmbank
TCMBANKIN029551
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
Mol Wt
282.295
Smiles
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
Mol Log P
3.477200000000002
In Ch Ikey
JRFZSUMZAUHNSL-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.738
Num Hacceptors
4
Isomeric Smiles
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
Canonical Smiles
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
Herb Alias Names
21392-57-4Chrysin dimethyl etherChrysin dimethyletherDimethylchrysinChrysin 5,7-dimethyl ether5,7-dimethoxy-2-phenylchromen-4-one5,7-Dimethoxy-2-phenyl-4H-chromen-4-oneChrysin DMEChrysin-Dimethylether
Molecular Weight
282.29 g/mol
Molecular Formula
C17H14O4
Molecular Formula
C17H14O4
Num Rotatable Bonds
3