Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70623
- Core Entity Id
- 133272
- Source Entity Count
- 1
- Preferred Name
- cannabinodiol
- Name En
- Pubchem Id
- 11551346
- Smiles Canonical
- CCCCCC1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)C)C(=C)C)O
- Molecular Formula
- C21H26O2
- Molecular Weight
- 310.1900
- Inchikey
- TWKHUZXSTKISQC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H26O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h9-13,22-23H,2,5-8H2,1,3-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.0000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
cannabinodiol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
cannabinodiol
Itcmdb Generated
ITX-INGREDIENT-44586E591DD9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
310.190
Molecular Formula
C21H26O2
Fda Maximum Daily Dose (Fdamdd)
0.766
Quantitative Estimate Of Drug Likeness（Qed）
0.658