Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67478
- Core Entity Id
- 130127
- Source Entity Count
- 1
- Preferred Name
- 2'-hydroxy-3,4,5,4',6'-pentamethoxychalcone
- Name En
- Pubchem Id
- 5374858
- Smiles Canonical
- COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)O
- Molecular Formula
- C20H22O7
- Molecular Weight
- 374.1400
- Inchikey
- BEDDITQSLNWAOP-VOTSOKGWSA-N
- Inchi
- InChI=1S/C20H22O7/c1-23-13-10-15(22)19(16(11-13)24-2)14(21)7-6-12-8-17(25-3)20(27-5)18(9-12)26-4/h6-11,22H,1-5H3/b7-6+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.7000
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 83.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-hydroxy-3,4,5,4',6'-pentamethoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2'-hydroxy-3,4,5,4',6'-pentamethoxychalcone
Itcmdb Generated
ITX-INGREDIENT-8FC6C1487A93
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
374.140
Molecular Formula
C20H22O7
Fda Maximum Daily Dose (Fdamdd)
0.093
Quantitative Estimate Of Drug Likeness（Qed）
0.560