Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 46721
- Core Entity Id
- 89732
- Source Entity Count
- 1
- Preferred Name
- 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
- Name En
- Pubchem Id
- 404572
- Smiles Canonical
- COC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC=C(C=C3)O)O
- Molecular Formula
- C17H16O6
- Molecular Weight
- 316.0900
- Inchikey
- CGCVUMRAPMFWDT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O6/c1-22-17-12(19)7-13-14(16(17)21)15(20)10(8-23-13)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-19,21H,6,8H2,1H3
- 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-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN022745
Etcm Ingredient
3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
Itcmdb Generated
ITX-INGREDIENT-0F36700CE762ITX-INGREDIENT-B025C9A810C3
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
绵枣儿
Tcm Name2
Scilla nervosa
Mol2 Path
/TCM_database/2007_3d_all/09836.mol2
Reference
2381
Molecular Weight
316.090
Molecular Formula
C17H16O6
Fda Maximum Daily Dose (Fdamdd)
0.077
Quantitative Estimate Of Drug Likeness（Qed）
0.803