Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66600
- Core Entity Id
- 129249
- Source Entity Count
- 1
- Preferred Name
- 1-caryophyllene
- Name En
- Pubchem Id
- 5281515
- Smiles Canonical
- CC1=CCCC(=C)C2CC(C2CC1)(C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.1900
- Inchikey
- NPNUFJAVOOONJE-GFUGXAQUSA-N
- Inchi
- InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.4000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-caryophyllene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-caryophyllene
Itcmdb Generated
ITX-INGREDIENT-4127611FD1D8
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
204.190
Molecular Formula
C15H24
Fda Maximum Daily Dose (Fdamdd)
0.834
Quantitative Estimate Of Drug Likeness（Qed）
0.501