ITCMDBv1
IngredientID 6489

5,3'-dihydroxy-6,7,4',5'-tetramethoxyflavone

C19H18O8

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Herb: 1Ingredient: 1Target: 1Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
6489
Core Entity Id
10390
Source Entity Count
1
Preferred Name
5,3'-dihydroxy-6,7,4',5'-tetramethoxyflavone
Name En
Pubchem Id
183329
Smiles Canonical
COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
Molecular Formula
C19H18O8
Molecular Weight
374.3450
Inchikey
WVDMIOIJGFCRJQ-UHFFFAOYSA-N
Inchi
InChI=1S/C19H18O8/c1-23-14-6-9(5-11(21)18(14)25-3)12-7-10(20)16-13(27-12)8-15(24-2)19(26-4)17(16)22/h5-8,21-22H,1-4H3
Isomeric Smiles
COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
Cas Id
Ob Score
Mol Logp
2.9056
Num H Donors
2
Num H Acceptors
8
Num Rotatable Bonds
5
Drug Likeness
0.7020
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,3'-dihydroxy-6,7,4',5'-tetramethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,3'-dihydroxy-6,7,4',5'-tetramethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,3'-dihydroxy-6,7,4',5'-tetramethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
111537-41-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
111537-41-8
Role
alias
Source
HERB_v2
Preferred
No
Name
3',5-Dihydroxy-4',5',6,7-tetramethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',5-Dihydroxy-4',5',6,7-tetramethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS015999038
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS015999038
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40149684
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40149684
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10144
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10144
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12111273
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12111273
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16894633
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16894633
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

111537-41-83',5-Dihydroxy-4',5',6,7-tetramethoxyflavone5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxychromen-4-oneAKOS015999038DTXSID40149684FS-10144LMPK12111273SCHEMBL16894633

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN011020
Npass
NPC175198
Tcmid
6147
Pub Chem
183329
Tcmbank
TCMBANKIN048777
Etcm Ingredient
5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavone
Itcmdb Generated
ITX-INGREDIENT-A0C78F3A4075

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C19H18O8/c1-23-14-6-9(5-11(21)18(14)25-3)12-7-10(20)16-13(27-12)8-15(24-2)19(26-4)17(16)22/h5-8,21-22H,1-4H3
Mol Wt
374.3450000000001
Smiles
COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
Mol Log P
2.905600000000001
In Ch Ikey
WVDMIOIJGFCRJQ-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/06148.mol2
Reference
4508
Num Hdonors
2
Drug Likeness
0.702
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
Canonical Smiles
COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
Herb Alias Names
111537-41-83',5-Dihydroxy-4',5',6,7-tetramethoxyflavone5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxychromen-4-one5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxy-4H-chromen-4-oneSCHEMBL16894633DTXSID40149684LMPK12111273AKOS015999038FS-10144
Molecular Weight
374.100
Molecular Weight
374.3 g/mol
Molecular Formula
C19H18O8
Molecular Formula
C19H18O8
Molecular Formula
C19H18O8
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.127
Quantitative Estimate Of Drug Likeness（Qed）
0.702