Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6575
- Core Entity Id
- 10486
- Source Entity Count
- 1
- Preferred Name
- 5,6,8,3',4',5'-hexamethoxyflavone
- Name En
- Pubchem Id
- 44257604
- Smiles Canonical
- COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=CC(=C3OC)OC)OC
- Molecular Formula
- C21H22O8
- Molecular Weight
- 402.3990
- Inchikey
- YSFDTCPVUDPZGB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H22O8/c1-23-14-7-11(8-15(24-2)19(14)27-5)13-9-12(22)18-20(28-6)16(25-3)10-17(26-4)21(18)29-13/h7-10H,1-6H3
- Isomeric Smiles
- COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=CC(=C3OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.5116
- Num H Donors
- 0
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.5940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,6,8,3',4',5'-Hexamethoxyflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5,6,8,3',4',5'-Hexamethoxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,6,8,3',4',5'-Hexamethoxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,6,8,3',4',5'-Hexamethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,6,8,3',4',5'-hexamethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,6,8,3',4',5'-hexamethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
九里香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIU LI XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Jasminorange
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
135010-79-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
135010-79-6
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,8-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,8-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,8-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,8-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40658064
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40658064
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12110111
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12110111
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
九里香JIU LI XIANGCommon Jasminorange135010-79-65,6,8-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one5,6,8-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-oneDTXSID40658064LMPK12110111
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011119
Npass
NPC38813
Tcmid
9510
Sym Map
SMIT21623
Pub Chem
44257604
Tcmbank
TCMBANKIN040115
Etcm Ingredient
5,6,8,3',4',5'-Hexamethoxyflavone
Itcmdb Generated
ITX-INGREDIENT-13B2C7235609ITX-INGREDIENT-90DD48A9A535
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H22O8/c1-23-14-7-11(8-15(24-2)19(14)27-5)13-9-12(22)18-20(28-6)16(25-3)10-17(26-4)21(18)29-13/h7-10H,1-6H3
Mol Wt
402.3990000000002
Mol Log P
3.511600000000002
Version
v2
In Ch Ikey
YSFDTCPVUDPZGB-UHFFFAOYSA-N
Suppress
0
Tcm Name
九里香
Tcm Name2
JIU LI XIANG
Mol2 Path
/TCM_database/2007_3d_all/09511.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Common Jasminorange
Drug Likeness
0.594
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=CC(=C3OC)OC)OC
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=CC(=C3OC)OC)OC
Herb Alias Names
135010-79-65,6,8-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-oneDTXSID40658064LMPK121101115,6,8-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
Molecular Weight
402.130
Molecular Weight
402.4 g/mol
Molecular Formula
C21H22O8
Molecular Formula
C21H22O8
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.032
Quantitative Estimate Of Drug Likeness（Qed）
0.594