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
- 44031
- Core Entity Id
- 87042
- Source Entity Count
- 1
- Preferred Name
- 3-(4-Hydroxybenzylidene)-5-hydroxy-7-methoxychroman-4-one
- Name En
- Pubchem Id
- 15484394
- Smiles Canonical
- COC1=CC(=C2C(=C1)OCC(=CC3=CC=C(C=C3)O)C2=O)O
- Molecular Formula
- C17H14O5
- Molecular Weight
- 298.0800
- Inchikey
- CEIWQXCJVAWOKP-IZZDOVSWSA-N
- Inchi
- InChI=1S/C17H14O5/c1-21-13-7-14(19)16-15(8-13)22-9-11(17(16)20)6-10-2-4-12(18)5-3-10/h2-8,18-19H,9H2,1H3/b11-6+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.1000
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 76.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(4-Hydroxybenzylidene)-5-hydroxy-7-methoxychroman-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-(4-Hydroxybenzylidene)-5-hydroxy-7-methoxychroman-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN013572
Etcm Ingredient
3-(4-Hydroxybenzylidene)-5-hydroxy-7-methoxychroman-4-one
Itcmdb Generated
ITX-INGREDIENT-53BE24CC7BF7ITX-INGREDIENT-623395B18136
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
绵枣儿
Tcm Name2
Scilla nervosa
Mol2 Path
/TCM_database/2007_3d_all/09844.mol2
Reference
2381
Molecular Weight
298.080
Molecular Formula
C17H14O5
Fda Maximum Daily Dose (Fdamdd)
0.908
Quantitative Estimate Of Drug Likeness（Qed）
0.834