Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 47547
- Core Entity Id
- 90558
- Source Entity Count
- 1
- Preferred Name
- 3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one
- Name En
- Pubchem Id
- 404571
- Smiles Canonical
- COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O)O
- Molecular Formula
- C17H16O6
- Molecular Weight
- 316.0900
- Inchikey
- WIBOONWRYQFYQJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O6/c1-22-14-3-2-9(5-12(14)19)4-10-8-23-15-7-11(18)6-13(20)16(15)17(10)21/h2-3,5-7,10,18-20H,4,8H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 96.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN025539
Etcm Ingredient
3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one
Itcmdb Generated
ITX-INGREDIENT-2BE9F9D363DEITX-INGREDIENT-453C64A020A5
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
绵枣儿
Tcm Name2
Scilla nervosa
Mol2 Path
/TCM_database/2007_3d_all/10385.mol2
Reference
2381
Molecular Weight
316.090
Molecular Formula
C17H16O6
Fda Maximum Daily Dose (Fdamdd)
0.501
Quantitative Estimate Of Drug Likeness（Qed）
0.803