Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66028
- Core Entity Id
- 128677
- Source Entity Count
- 1
- Preferred Name
- 1,2-Dimethoxyanthraquinone
- Name En
- Pubchem Id
- 4217712
- Smiles Canonical
- COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC
- Molecular Formula
- C16H12O4
- Molecular Weight
- 268.0700
- Inchikey
- AMKRBKSZCGCEJK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O4/c1-19-12-8-7-11-13(16(12)20-2)15(18)10-6-4-3-5-9(10)14(11)17/h3-8H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 52.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2-Dimethoxyanthraquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2-Dimethoxyanthraquinone
Itcmdb Generated
ITX-INGREDIENT-4C6B7C69B50A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
268.070
Molecular Formula
C16H12O4
Fda Maximum Daily Dose (Fdamdd)
0.279
Quantitative Estimate Of Drug Likeness（Qed）
0.716