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
- 70621
- Core Entity Id
- 133270
- Source Entity Count
- 1
- Preferred Name
- cannabielsoin
- Name En
- Pubchem Id
- 162113
- Smiles Canonical
- CCCCCC1=CC(=C2C3C(CCC(C3OC2=C1)(C)O)C(=C)C)O
- Molecular Formula
- C21H30O3
- Molecular Weight
- 330.2200
- Inchikey
- RBEAVAMWZAJWOI-MTOHEIAKSA-N
- Inchi
- InChI=1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-20-18(19)15(13(2)3)9-10-21(20,4)23/h11-12,15,18,20,22-23H,2,5-10H2,1,3-4H3/t15-,18+,20-,21-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.4000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 49.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
cannabielsoin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
cannabielsoin
Itcmdb Generated
ITX-INGREDIENT-A0AECD1A90E1
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
330.220
Molecular Formula
C21H30O3
Fda Maximum Daily Dose (Fdamdd)
0.895
Quantitative Estimate Of Drug Likeness（Qed）
0.607