Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66192
- Core Entity Id
- 128841
- Source Entity Count
- 1
- Preferred Name
- 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
- Name En
- Pubchem Id
- 10639
- Smiles Canonical
- CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC
- Molecular Formula
- C16H12O5
- Molecular Weight
- 284.0700
- Inchikey
- FFWOKTFYGVYKIR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 83.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Itcmdb Generated
ITX-INGREDIENT-936FB277D9D3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
284.070
Molecular Formula
C16H12O5
Fda Maximum Daily Dose (Fdamdd)
0.926
Quantitative Estimate Of Drug Likeness（Qed）
0.715