Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66010
- Core Entity Id
- 128659
- Source Entity Count
- 1
- Preferred Name
- 1,2,8-trihydroxy-6,7-dimethoxyanthraquinone
- Name En
- Pubchem Id
- 100929576
- Smiles Canonical
- COC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O)O)OC
- Molecular Formula
- C16H12O7
- Molecular Weight
- 316.0600
- Inchikey
- HZFRBKFNOVTVIE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O7/c1-22-9-5-7-11(15(21)16(9)23-2)14(20)10-6(12(7)18)3-4-8(17)13(10)19/h3-5,17,19,21H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 113.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2,8-trihydroxy-6,7-dimethoxyanthraquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2,8-trihydroxy-6,7-dimethoxyanthraquinone
Itcmdb Generated
ITX-INGREDIENT-B7719B52B63E
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
316.060
Molecular Formula
C16H12O7
Fda Maximum Daily Dose (Fdamdd)
0.770
Quantitative Estimate Of Drug Likeness（Qed）
0.571