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
- 6052
- Core Entity Id
- 9910
- Source Entity Count
- 1
- Preferred Name
- 4'-hydroxy-5,6,7,3',5 '-pentamethoxyflavone
- Name En
- Pubchem Id
- 44258535
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
- Molecular Formula
- C20H20O8
- Molecular Weight
- 388.3720
- Inchikey
- LRBNYMQUUAIWST-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H20O8/c1-23-14-6-10(7-15(24-2)18(14)22)12-8-11(21)17-13(28-12)9-16(25-3)19(26-4)20(17)27-5/h6-9,22H,1-5H3
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.2086
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4'-hydroxy-5,6,7,3',5 '-pentamethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4'-hydroxy-5,6,7,3',5 '-pentamethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4'-hydroxy-5,6,7,3',5 '-pentamethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4'-Hydroxy-5,6,7,3',5'-pentamethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-Hydroxy-5,6,7,3',5'-pentamethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ageconyflavone C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ageconyflavone C
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12111280
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12111280
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4'-Hydroxy-5,6,7,3',5'-pentamethoxyflavoneAgeconyflavone CLMPK12111280
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010493
Tcmid
10594
Pub Chem
44258535
Tcmbank
TCMBANKIN029038
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O8/c1-23-14-6-10(7-15(24-2)18(14)22)12-8-11(21)17-13(28-12)9-16(25-3)19(26-4)20(17)27-5/h6-9,22H,1-5H3
Mol Wt
388.3720000000001
Smiles
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
Mol Log P
3.208600000000001
In Ch Ikey
LRBNYMQUUAIWST-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.688
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
Herb Alias Names
Ageconyflavone C4'-Hydroxy-5,6,7,3',5'-pentamethoxyflavoneLMPK12111280
Molecular Weight
388.4 g/mol
Molecular Formula
C20H20O8
Molecular Formula
C20H20O8
Num Rotatable Bonds
6