Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6567
- Core Entity Id
- 10477
- Source Entity Count
- 1
- Preferred Name
- Fraxinol
- Name En
- Pubchem Id
- 3047739
- Smiles Canonical
- COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O
- Molecular Formula
- C11H10O5
- Molecular Weight
- 222.1960
- Inchikey
- PBPNOAHYDPHKFH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3
- Isomeric Smiles
- COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O
- Cas Id
- 486-28-2
- Ob Score
- 24.1919
- Mol Logp
- 1.5158
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7800
- Polar Surface Area
- 65.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fraxinol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5, 7-dimethoxy-6-hydroxycoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7-dimethoxy-6-hydroxycoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7-dimethoxy-6-hydroxycoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fraxinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Fraxinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fraxinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fraxinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
486-28-2
Role
alias
Source
HERB_v2
Preferred
No
Name
486-28-2
Role
alias
Source
TCMBank
Preferred
No
Name
486-28-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-DIMETHOXY-6-HYDROXYCOUMARIN
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-DIMETHOXY-6-HYDROXYCOUMARIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Hydroxy-5,7-dimethoxycoumarin
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Hydroxy-5,7-dimethoxycoumarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-hydroxy-5,7-dimethoxy-2-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
6-hydroxy-5,7-dimethoxy-2H-chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-hydroxy-5,7-dimethoxy-2H-chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-hydroxy-5,7-dimethoxy-chromen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
6-hydroxy-5,7-dimethoxy-coumarin
Role
alias
Source
TCMBank
Preferred
No
Name
6-hydroxy-5,7-dimethoxychromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-hydroxy-5,7-dimethoxychromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30197558
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30197558
Role
alias
Source
HERB_v2
Preferred
No
Name
Fraxinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fraxinol
Role
alias
Source
HERB_v2
Preferred
No
Name
U330651DTI
Role
alias
Source
HERB_v2
Preferred
No
Name
U330651DTI
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-U330651DTI
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-U330651DTI
Role
alias
Source
itcmdb_public
Preferred
No
Name
fraxinol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5, 7-dimethoxy-6-hydroxycoumarin5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether5,7-dimethoxy-6-hydroxycoumarin2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-486-28-26-Hydroxy-5,7-dimethoxycoumarin6-hydroxy-5,7-dimethoxy-2-chromenone6-hydroxy-5,7-dimethoxy-2H-chromen-2-one6-hydroxy-5,7-dimethoxy-chromen-2-one6-hydroxy-5,7-dimethoxy-coumarin6-hydroxy-5,7-dimethoxychromen-2-oneDTXSID30197558U330651DTIUNII-U330651DTI
Cross References
Trusted external identifiers retained for this final record.
Cas
486-28-2
Herb
HBIN011111HBIN011314HBIN026741
Npass
NPC126682
Tcmid
42831
Tcmsp
MOL002000
Sym Map
SMIT04324
Tcm Id
43117726
Pub Chem
3047739
Tcmbank
TCMBANKIN013087TCMBANKIN013127TCMBANKIN021519
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3
Mol Wt
222.196
Cas Id
486-28-2
Smiles
COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O
Mol Log P
1.5158
Version
v1,v2
In Ch Ikey
PBPNOAHYDPHKFH-UHFFFAOYSA-N
Ob Score
24.19190124.1919011924.192
Suppress
0
Num Hdonors
1
Drug Likeness
0.78
Num Hacceptors
5
Isomeric Smiles
COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O
Molecule Weight
222.21
Canonical Smiles
COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O
Molecular Weight
222.19
Molecular Formula
C11H10O5
Molecular Formula
C11H10O5
Num Rotatable Bonds
2