Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8847
- Core Entity Id
- 13001
- Source Entity Count
- 1
- Preferred Name
- 8-formyl-7-hydroxycoumarin
- Name En
- Pubchem Id
- 10899435
- Smiles Canonical
- C1=CC(=C(C2=C1C=CC(=O)O2)C=O)O
- Molecular Formula
- C10H6O4
- Molecular Weight
- 190.1540
- Inchikey
- KRBBYDYXQBJMCQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H6O4/c11-5-7-8(12)3-1-6-2-4-9(13)14-10(6)7/h1-5,12H
- Isomeric Smiles
- C1=CC(=C(C2=C1C=CC(=O)O2)C=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3111
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Formyl-7-hydroxycoumarin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-formyl-7-hydroxycoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-formyl-7-hydroxycoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-formyl-7-hydroxycoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2067-86-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2067-86-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
3QEZ7Q9T6B
Role
alias
Source
HERB_v2
Preferred
No
Name
3QEZ7Q9T6B
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-oxo-2H-1-benzopyran-8-carboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2-oxo-2H-1-benzopyran-8-carboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-oxo-2H-chromene-8-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2-oxo-2H-chromene-8-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-8-formylcoumarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-8-formylcoumarin
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-2-oxo-chromene-8-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-2-oxo-chromene-8-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
8-formyl-7-hydroxycoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
Coumarin, 8-formyl-7-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Coumarin, 8-formyl-7-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL10489008
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL10489008
Role
alias
Source
itcmdb_public
Preferred
No
Name
Umbelliferone, 8-formyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Umbelliferone, 8-formyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2067-86-93QEZ7Q9T6B7-Hydroxy-2-oxo-2H-1-benzopyran-8-carboxaldehyde7-Hydroxy-2-oxo-2H-chromene-8-carbaldehyde7-Hydroxy-8-formylcoumarin7-hydroxy-2-oxo-chromene-8-carbaldehydeCoumarin, 8-formyl-7-hydroxy-SCHEMBL10489008Umbelliferone, 8-formyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013729
Tcmid
7903
Tcm Id
122891229017502
Pub Chem
10899435
Tcmbank
TCMBANKIN043654
Etcm Ingredient
8-Formyl-7-hydroxycoumarin
Itcmdb Generated
ITX-INGREDIENT-69D7B9F406C4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H6O4/c11-5-7-8(12)3-1-6-2-4-9(13)14-10(6)7/h1-5,12H
Mol Wt
190.154
Smiles
C1=CC(=C(C2=C1C=CC(=O)O2)C=O)O
Mol Log P
1.3111
In Ch Ikey
KRBBYDYXQBJMCQ-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07904.mol2
Reference
5048
Num Hdonors
1
Drug Likeness
0.543
Num Hacceptors
4
Isomeric Smiles
C1=CC(=C(C2=C1C=CC(=O)O2)C=O)O
Canonical Smiles
C1=CC(=C(C2=C1C=CC(=O)O2)C=O)O
Herb Alias Names
7-Hydroxy-2-oxo-2H-chromene-8-carbaldehyde2067-86-97-hydroxy-2-oxo-chromene-8-carbaldehydeUmbelliferone, 8-formyl-7-Hydroxy-8-formylcoumarin3QEZ7Q9T6B7-Hydroxy-2-oxo-2H-1-benzopyran-8-carboxaldehydeCoumarin, 8-formyl-7-hydroxy-SCHEMBL10489008
Molecular Weight
190.030
Molecular Weight
190.15 g/mol
Molecular Formula
C10H6O4
Molecular Formula
C10H6O4
Molecular Formula
C10H6O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.239
Quantitative Estimate Of Drug Likeness（Qed）
0.543