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
- 7072
- Core Entity Id
- 11041
- Source Entity Count
- 1
- Preferred Name
- 5-methoxy-7-hydroxycoumarin
- Name En
- Pubchem Id
- 5487854
- Smiles Canonical
- COC1=CC(=CC2=C1C=CC(=O)O2)O
- Molecular Formula
- C10H8O4
- Molecular Weight
- 192.1700
- Inchikey
- IFIRYJJHHOCCHT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H8O4/c1-13-8-4-6(11)5-9-7(8)2-3-10(12)14-9/h2-5,11H,1H3
- Isomeric Smiles
- COC1=CC(=CC2=C1C=CC(=O)O2)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5072
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-methoxy-7-hydroxycoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-methoxy-7-hydroxycoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-methoxy-7-hydroxycoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2H-1-Benzopyran-2-one, 7-hydroxy-5-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-2-one, 7-hydroxy-5-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
3067-10-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
3067-10-5
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-5-methoxychromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-5-methoxychromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS022643896
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS022643896
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL449529
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL449529
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-49861
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-49861
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30184706
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30184706
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-7860
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7860
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL7837457
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL7837457
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2H-1-Benzopyran-2-one, 7-hydroxy-5-methoxy-3067-10-57-hydroxy-5-methoxychromen-2-oneAKOS022643896CHEMBL449529DA-49861DTXSID30184706FS-7860SCHEMBL7837457
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011744
Tcmid
39208
Pub Chem
5487854
Tcmbank
TCMBANKIN035665
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H8O4/c1-13-8-4-6(11)5-9-7(8)2-3-10(12)14-9/h2-5,11H,1H3
Mol Wt
192.17
Smiles
COC1=CC(=CC2=C1C=CC(=O)O2)O
Mol Log P
1.5072
In Ch Ikey
IFIRYJJHHOCCHT-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.695
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC2=C1C=CC(=O)O2)O
Canonical Smiles
COC1=CC(=CC2=C1C=CC(=O)O2)O
Herb Alias Names
3067-10-57-hydroxy-5-methoxychromen-2-one2H-1-Benzopyran-2-one, 7-hydroxy-5-methoxy-CHEMBL449529SCHEMBL7837457DTXSID30184706AKOS022643896FS-7860DA-49861
Molecular Weight
192.17 g/mol
Molecular Formula
C10H8O4
Molecular Formula
C10H8O4
Num Rotatable Bonds
1