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
- 45989
- Core Entity Id
- 89000
- Source Entity Count
- 1
- Preferred Name
- 6-Formylumbelliferone
- Name En
- Pubchem Id
- 14213968
- Smiles Canonical
- C1=CC(=O)OC2=CC(=C(C=C21)C=O)O
- Molecular Formula
- C10H6O4
- Molecular Weight
- 190.0300
- Inchikey
- YYVVBACXPUHKFH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H6O4/c11-5-7-3-6-1-2-10(13)14-9(6)4-8(7)12/h1-5,12H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.6000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 63.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Formylumbelliferone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-Formylumbelliferone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Citrus medica var. etrog
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Citrus medica var. etrog
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN020201
Etcm Ingredient
6-Formylumbelliferone
Itcmdb Generated
ITX-INGREDIENT-03378B724F49ITX-INGREDIENT-10F3BD4D03F1
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name2
Citrus medica var. etrog
Mol2 Path
/TCM_database/2007_3d_all/07913.mol2
Reference
5048
Molecular Weight
190.030
Molecular Formula
C10H6O4
Fda Maximum Daily Dose (Fdamdd)
0.777
Quantitative Estimate Of Drug Likeness（Qed）
0.543