Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66727
- Core Entity Id
- 129376
- Source Entity Count
- 1
- Preferred Name
- 1-methylanthraquinone
- Name En
- Pubchem Id
- 70379
- Smiles Canonical
- CC1=C2C(=CC=C1)C(=O)C3=CC=CC=C3C2=O
- Molecular Formula
- C15H10O2
- Molecular Weight
- 222.0700
- Inchikey
- RBGUKBSLNOTVCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O2/c1-9-5-4-8-12-13(9)15(17)11-7-3-2-6-10(11)14(12)16/h2-8H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 34.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-methylanthraquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-methylanthraquinone
Itcmdb Generated
ITX-INGREDIENT-3BA36A24C9AF
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
222.070
Molecular Formula
C15H10O2
Fda Maximum Daily Dose (Fdamdd)
0.698
Quantitative Estimate Of Drug Likeness（Qed）
0.586