Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6558
- Core Entity Id
- 10467
- Source Entity Count
- 1
- Preferred Name
- 5,6,7,8,3',4',5'-heptamethoxy flavone
- Name En
- Pubchem Id
- 72815
- Smiles Canonical
- COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
- Molecular Formula
- C22H24O9
- Molecular Weight
- 432.4250
- Inchikey
- UAELIRBOLQZEAT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H24O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-10H,1-7H3
- Isomeric Smiles
- COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.5202
- Num H Donors
- 0
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.5300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,6,7,8,3',4',5'-Heptamethoxy Flavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5,6,7,8,3',4',5'-Heptamethoxy Flavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,6,7,8,3',4',5'-Heptamethoxy flavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,6,7,8,3',4',5'-Heptamethoxy flavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,6,7,8,3',4',5'-heptamethoxy flavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,6,7,8,3',4',5'-heptamethoxy flavone
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
4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5'-Methoxynobiletin
Role
alias
Source
itcmdb_public
Preferred
No
Name
5'-Methoxynobiletin
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8,3',4',5'-heptamethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7,8,3',4',5'-heptamethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7,8-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6965-36-2
Role
alias
Source
HERB_v2
Preferred
No
Name
6965-36-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:79477
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:79477
Role
alias
Source
HERB_v2
Preferred
No
Name
FE42EJY6FF
Role
alias
Source
HERB_v2
Preferred
No
Name
FE42EJY6FF
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC67580
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC67580
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
九里香JIU LI XIANGCommon Jasminorange4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-5'-Methoxynobiletin5,6,7,8,3',4',5'-heptamethoxyflavone5,6,7,8-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one6965-36-2CHEBI:79477FE42EJY6FFNSC67580
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011100
Npass
NPC283002
Tcmid
9405
Sym Map
SMIT21618
Pub Chem
72815
Tcmbank
TCMBANKIN039101
Etcm Ingredient
5,6,7,8,3',4',5'-Heptamethoxy flavone
Itcmdb Generated
ITX-INGREDIENT-1408E66C9F11ITX-INGREDIENT-A1D10D90FA22
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H24O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-10H,1-7H3
Mol Wt
432.4250000000002
Mol Log P
3.520200000000001
Version
v2
In Ch Ikey
UAELIRBOLQZEAT-UHFFFAOYSA-N
Suppress
0
Tcm Name
九里香
Tcm Name2
JIU LI XIANG
Mol2 Path
/TCM_database/2007_3d_all/09406.mol2
Reference
660, 4092
Num Hdonors
0
Tcm Name En
Common Jasminorange
Drug Likeness
0.53
Num Hacceptors
9
Isomeric Smiles
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
Herb Alias Names
6965-36-25,6,7,8,3',4',5'-heptamethoxyflavone5'-Methoxynobiletin5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-oneNSC67580NSC-67580FE42EJY6FFCHEBI:794775,6,7,8-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-
Molecular Weight
432.140
Molecular Weight
432.4 g/mol
Molecular Formula
C22H24O9
Molecular Formula
C22H24O9
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.530