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
- 43155
- Core Entity Id
- 86166
- Source Entity Count
- 1
- Preferred Name
- 5,7-Dimethoxy-3-(4-methoxybenzyl)chroman-4-one
- Name En
- Pubchem Id
- 404573
- Smiles Canonical
- COC1=CC=C(C=C1)CC2COC3=C(C2=O)C(=CC(=C3)OC)OC
- Molecular Formula
- C19H20O5
- Molecular Weight
- 328.1300
- Inchikey
- JKMJUFLHBMBSQL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H20O5/c1-21-14-6-4-12(5-7-14)8-13-11-24-17-10-15(22-2)9-16(23-3)18(17)19(13)20/h4-7,9-10,13H,8,11H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.3000
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 54.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7-Dimethoxy-3-(4-methoxybenzyl)chroman-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,7-Dimethoxy-3-(4-methoxybenzyl)chroman-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN010475
Etcm Ingredient
5,7-Dimethoxy-3-(4-methoxybenzyl)chroman-4-one
Itcmdb Generated
ITX-INGREDIENT-748E1A331ACFITX-INGREDIENT-9C801B73C95A
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
绵枣儿
Tcm Name2
Scilla nervosa
Mol2 Path
/TCM_database/2007_3d_all/06256.mol2
Reference
2328, 2381
Molecular Weight
328.130
Molecular Formula
C19H20O5
Fda Maximum Daily Dose (Fdamdd)
0.487
Quantitative Estimate Of Drug Likeness（Qed）
0.844