Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 3Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66136
- Core Entity Id
- 128785
- Source Entity Count
- 1
- Preferred Name
- 1,4-Dimethoxy-2-hydroxyanthraquinone
- Name En
- Pubchem Id
- 147143
- Smiles Canonical
- COC1=C2C(=C(C(=C1)O)OC)C(=O)C3=CC=CC=C3C2=O
- Molecular Formula
- C16H12O5
- Molecular Weight
- 284.0700
- Inchikey
- IVWHLWDPENTYKS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O5/c1-20-11-7-10(17)16(21-2)13-12(11)14(18)8-5-3-4-6-9(8)15(13)19/h3-7,17H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.5000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 72.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,4-Dimethoxy-2-hydroxyanthraquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,4-Dimethoxy-2-hydroxyanthraquinone
Itcmdb Generated
ITX-INGREDIENT-794BA3EC935A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
284.070
Molecular Formula
C16H12O5
Fda Maximum Daily Dose (Fdamdd)
0.241
Quantitative Estimate Of Drug Likeness（Qed）
0.781