Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 11Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6564
- Core Entity Id
- 10474
- Source Entity Count
- 1
- Preferred Name
- 5,6,7,8-tetramethoxycoumarin
- Name En
- Pubchem Id
- 151319
- Smiles Canonical
- COC1=C(C(=C(C2=C1C=CC(=O)O2)OC)OC)OC
- Molecular Formula
- C13H14O6
- Molecular Weight
- 266.2490
- Inchikey
- FEGDYUCKOYJQOZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H14O6/c1-15-9-7-5-6-8(14)19-10(7)12(17-3)13(18-4)11(9)16-2/h5-6H,1-4H3
- Isomeric Smiles
- COC1=C(C(=C(C2=C1C=CC(=O)O2)OC)OC)OC
- Cas Id
- 56317-15-8
- Ob Score
- 31.4369
- Mol Logp
- 1.8274
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,6,7,8-Tetramethoxycoumarin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5,6,7,8-Tetramethoxycoumarin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,6,7,8-Tetramethoxycoumarin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,6,7,8-Tetramethoxycoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,6,7,8-tetramethoxycoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,6,7,8-tetramethoxycoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,6,7,8-tetramethoxy-2-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
5,6,7,8-tetramethoxychromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7,8-tetramethoxychromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8-tetramethoxychromen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
56317-15-8
Role
alias
Source
HERB_v2
Preferred
No
Name
56317-15-8
Role
alias
Source
TCMBank
Preferred
No
Name
56317-15-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS022184743
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS022184743
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID90127351
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID90127351
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60204860
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60204860
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10015
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10015
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL17047859
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL17047859
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,6,7,8-tetramethoxy-2-chromenone5,6,7,8-tetramethoxychromen-2-one56317-15-8AKOS022184743DTXCID90127351DTXSID60204860FS-10015SCHEMBL17047859
Cross References
Trusted external identifiers retained for this final record.
Cas
56317-15-8
Herb
HBIN011108
Tcmsp
MOL006305
Sym Map
SMIT07948
Pub Chem
151319
Tcmbank
TCMBANKIN003012
Etcm Ingredient
5,6,7,8-Tetramethoxycoumarin
Itcmdb Generated
ITX-INGREDIENT-41B4CE9A45BE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H14O6/c1-15-9-7-5-6-8(14)19-10(7)12(17-3)13(18-4)11(9)16-2/h5-6H,1-4H3
Mol Wt
266.249
Cas Id
56317-15-8
Smiles
COC1=C(C(=C(C2=C1C=CC(=O)O2)OC)OC)OC
Mol Log P
1.8274
Version
v1,v2
In Ch Ikey
FEGDYUCKOYJQOZ-UHFFFAOYSA-N
Ob Score
31.4369207331.43692131.437
Suppress
0
Num Hdonors
0
Drug Likeness
0.786
Num Hacceptors
6
Isomeric Smiles
COC1=C(C(=C(C2=C1C=CC(=O)O2)OC)OC)OC
Molecule Weight
266.27
Canonical Smiles
COC1=C(C(=C(C2=C1C=CC(=O)O2)OC)OC)OC
Herb Alias Names
56317-15-85,6,7,8-tetramethoxychromen-2-oneDTXSID60204860SCHEMBL17047859DTXCID90127351AKOS022184743FS-10015
Molecular Weight
266.080
Molecular Weight
266.25
Molecular Formula
C13H14O6
Molecular Formula
C13H14O6
Molecular Formula
C13H14O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.786