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
- 69192
- Core Entity Id
- 131841
- Source Entity Count
- 1
- Preferred Name
- 6-hydroxy-5,7-dimethoxycoumarin
- Name En
- Pubchem Id
- 3047739
- Smiles Canonical
- COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O
- Molecular Formula
- C11H10O5
- Molecular Weight
- 222.0500
- 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
- Cas Id
- Ob Score
- Mol Logp
- 1.5000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 65.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-hydroxy-5,7-dimethoxycoumarin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6-hydroxy-5,7-dimethoxycoumarin
Itcmdb Generated
ITX-INGREDIENT-4D9811FE42B7
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
222.050
Molecular Formula
C11H10O5
Fda Maximum Daily Dose (Fdamdd)
0.048
Quantitative Estimate Of Drug Likeness（Qed）
0.780