Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Ingredient: 1Target: 8Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70740
- Core Entity Id
- 133389
- Source Entity Count
- 1
- Preferred Name
- cernuin
- Name En
- Pubchem Id
- 5281220
- Smiles Canonical
- C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Molecular Formula
- C15H10O6
- Molecular Weight
- 286.0500
- Inchikey
- WBEFUVAYFSOUEA-PQMHYQBVSA-N
- Inchi
- InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 107.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
cernuin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
cernuin
Itcmdb Generated
ITX-INGREDIENT-D150504501E9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
286.050
Molecular Formula
C15H10O6
Fda Maximum Daily Dose (Fdamdd)
0.945
Quantitative Estimate Of Drug Likeness（Qed）
0.472