Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70626
- Core Entity Id
- 133275
- Source Entity Count
- 1
- Preferred Name
- cannabisol
- Name En
- Pubchem Id
- 102487751
- Smiles Canonical
- CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1CC4=C(C5=C(C=C4CCCCC)OC(C6C5C=C(CC6)C)(C)C)O)O
- Molecular Formula
- C43H60O4
- Molecular Weight
- 640.4500
- Inchikey
- PDADLCKRVIFEGH-BAQBVXSRSA-N
- Inchi
- InChI=1S/C43H60O4/c1-9-11-13-15-28-23-36-38(32-21-26(3)17-19-34(32)42(5,6)46-36)40(44)30(28)25-31-29(16-14-12-10-2)24-37-39(41(31)45)33-22-27(4)18-20-35(33)43(7,8)47-37/h21-24,32-35,44-45H,9-20,25H2,1-8H3/t32-,33-,34-,35-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 11.6000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 58.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
cannabisol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
cannabisol
Itcmdb Generated
ITX-INGREDIENT-6B18CB29A364
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
640.450
Molecular Formula
C43H60O4
Fda Maximum Daily Dose (Fdamdd)
0.982
Quantitative Estimate Of Drug Likeness（Qed）
0.200