Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 13Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69046
- Core Entity Id
- 131695
- Source Entity Count
- 1
- Preferred Name
- 5Q7ZVV76EI
- Name En
- Pubchem Id
- 54678486
- Smiles Canonical
- CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
- Molecular Formula
- C38H32O8
- Molecular Weight
- 616.2100
- Inchikey
- PJVWKTKQMONHTI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 63.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5Q7ZVV76EI
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5Q7ZVV76EI
Itcmdb Generated
ITX-INGREDIENT-A3D646C6BB54
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
616.210
Molecular Formula
C38H32O8
Fda Maximum Daily Dose (Fdamdd)
0.946
Quantitative Estimate Of Drug Likeness（Qed）
0.748