IngredientID 49880
3-(4-Hydroxy-3-methoxybenzyl)-5-hydroxy-7-methoxy-chroman-4-one
C18H18O6
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 49880
- Core Entity Id
- 92891
- Source Entity Count
- 1
- Preferred Name
- 3-(4-Hydroxy-3-methoxybenzyl)-5-hydroxy-7-methoxy-chroman-4-one
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C18H18O6
- Molecular Weight
- 330.1100
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(4-Hydroxy-3-methoxybenzyl)-5-hydroxy-7-methoxy-chroman-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-(4-Hydroxy-3-methoxybenzyl)-5-hydroxy-7-methoxy-chroman-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN033020
Etcm Ingredient
3-(4-Hydroxy-3-methoxybenzyl)-5-hydroxy-7-methoxy-chroman-4-one
Itcmdb Generated
ITX-INGREDIENT-3787DB1A1DF2ITX-INGREDIENT-911CC7D093F7
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
绵枣儿
Tcm Name2
Scilla nervosa
Mol2 Path
/TCM_database/2007_3d_all/10387.mol2
Reference
2381
Molecular Weight
330.110
Molecular Formula
C18H18O6
Fda Maximum Daily Dose (Fdamdd)
0.630
Quantitative Estimate Of Drug Likeness（Qed）
0.896