Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7332
- Core Entity Id
- 11331
- Source Entity Count
- 1
- Preferred Name
- 6,7,8,3',4'-pentamethoxyflavone
- Name En
- Pubchem Id
- 44584772
- Smiles Canonical
- COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC
- Molecular Formula
- C20H20O7
- Molecular Weight
- 372.3730
- Inchikey
- MNQMRHVEXBTNRO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H20O7/c1-22-14-7-6-11(8-16(14)23-2)15-10-13(21)12-9-17(24-3)19(25-4)20(26-5)18(12)27-15/h6-10H,1-5H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.5030
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,7,8,3',4'-Pentamethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,7,8,3',4'-pentamethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,7,8,3',4'-pentamethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
雄蕊状直管草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIONG RUI ZHUANG ZHI GUAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Big-flowered Javatea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',4',6,7,8-Pentamethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',4',6,7,8-Pentamethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
42206-91-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
42206-91-7
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Demethoxynobiletin
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Demethoxynobiletin
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL478762
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL478762
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80659575
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80659575
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16894651
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16894651
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
雄蕊状直管草XIONG RUI ZHUANG ZHI GUAN CAOBig-flowered Javatea2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one3',4',6,7,8-Pentamethoxyflavone42206-91-74H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-5-DemethoxynobiletinCHEMBL478762DTXSID80659575SCHEMBL16894651
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012047
Npass
NPC205522
Tcmid
16859
Pub Chem
44584772
Tcmbank
TCMBANKIN044247
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O7/c1-22-14-7-6-11(8-16(14)23-2)15-10-13(21)12-9-17(24-3)19(25-4)20(26-5)18(12)27-15/h6-10H,1-5H3
Mol Wt
372.3730000000001
Mol Log P
3.503000000000001
In Ch Ikey
MNQMRHVEXBTNRO-UHFFFAOYSA-N
Tcm Name
雄蕊状直管草
Tcm Name2
XIONG RUI ZHUANG ZHI GUAN CAO
Mol2 Path
/TCM_database/2007_3d_all/16872.mol2
Reference
3053
Num Hdonors
0
Tcm Name En
Big-flowered Javatea
Drug Likeness
0.655
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC
Canonical Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC
Herb Alias Names
42206-91-75-Demethoxynobiletin4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-oneCHEMBL4787622-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-oneSCHEMBL16894651DTXSID806595752-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one3',4',6,7,8-Pentamethoxyflavone
Molecular Formula
C20H20O7
Num Rotatable Bonds
6