Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66119
- Core Entity Id
- 128768
- Source Entity Count
- 1
- Preferred Name
- 1,4,5-trihydroxyanthraquinone
- Name En
- Pubchem Id
- 76295
- Smiles Canonical
- C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)O
- Molecular Formula
- C14H8O5
- Molecular Weight
- 256.0400
- Inchikey
- PRKNCOCERFKSLP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H8O5/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,15-17H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.4000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 94.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,4,5-trihydroxyanthraquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,4,5-trihydroxyanthraquinone
Itcmdb Generated
ITX-INGREDIENT-B0F170EF50AA
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
256.040
Molecular Formula
C14H8O5
Fda Maximum Daily Dose (Fdamdd)
0.741
Quantitative Estimate Of Drug Likeness（Qed）
0.626