Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5721
- Core Entity Id
- 9548
- Source Entity Count
- 1
- Preferred Name
- 4',7-dimethylamentoflavone
- Name En
- Pubchem Id
- 5491518
- Smiles Canonical
- COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
- Molecular Formula
- C32H22O10
- Molecular Weight
- 566.5180
- Inchikey
- SQGLUEWZRKIEGS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)25-13-23(37)31-24(38)14-27(40-2)29(32(31)42-25)19-9-16(5-8-20(19)34)26-12-22(36)30-21(35)10-17(33)11-28(30)41-26/h3-14,33-35,38H,1-2H3
- Isomeric Smiles
- COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.7400
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4',7-Dimethylamentoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4',7-dimethylamentoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4',7-dimethylamentoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4',7-dimethylamentoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
41583-84-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
41583-84-0
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
7'',4'''-dimethylamentoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7'',4'''-dimethylamentoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040735044
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040735044
Role
alias
Source
itcmdb_public
Preferred
No
Name
Amentoflavone 7'',4'''-dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Amentoflavone 7'',4'''-dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Amentoflavone dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Amentoflavone dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00961824
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00961824
Role
alias
Source
itcmdb_public
Preferred
No
Name
Di-O-methylamentoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
Di-O-methylamentoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
41583-84-04H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, dimethyl ether7'',4'''-dimethylamentoflavone8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-oneAKOS040735044Amentoflavone 7'',4'''-dimethyl etherAmentoflavone dimethyl etherDTXSID00961824Di-O-methylamentoflavone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010111
Tcmid
6313
Pub Chem
5491518
Tcmbank
TCMBANKIN040721
Etcm Ingredient
4',7-Dimethylamentoflavone
Itcmdb Generated
ITX-INGREDIENT-BC6A6DEBFE0F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)25-13-23(37)31-24(38)14-27(40-2)29(32(31)42-25)19-9-16(5-8-20(19)34)26-12-22(36)30-21(35)10-17(33)11-28(30)41-26/h3-14,33-35,38H,1-2H3
Mol Wt
566.5180000000005
Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
Mol Log P
5.740000000000006
In Ch Ikey
SQGLUEWZRKIEGS-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/06314.mol2
Reference
4571
Num Hdonors
4
Drug Likeness
0.203
Num Hacceptors
10
Isomeric Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
Canonical Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
Herb Alias Names
Di-O-methylamentoflavone41583-84-0Amentoflavone dimethyl ether8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, dimethyl ether7'',4'''-dimethylamentoflavoneAmentoflavone 7'',4'''-dimethyl etherDTXSID00961824AKOS0407350448-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular Weight
566.120
Molecular Formula
C32H22O10
Molecular Formula
C32H22O10
Molecular Formula
C32H22O10
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.889
Quantitative Estimate Of Drug Likeness（Qed）
0.203