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: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67343
- Core Entity Id
- 129992
- Source Entity Count
- 1
- Preferred Name
- 2-acetyloxyacoronene
- Name En
- Pubchem Id
- 10850234
- Smiles Canonical
- CC1CC(C(C12CC=C(C(=O)C2)C)C(C)C)OC(=O)C
- Molecular Formula
- C17H26O3
- Molecular Weight
- 278.1900
- Inchikey
- LDEHIZSFHFOEKN-DXEWXGHRSA-N
- Inchi
- InChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,10,12,15-16H,7-9H2,1-5H3/t12-,15+,16+,17-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.5000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 43.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-acetyloxyacoronene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-acetyloxyacoronene
Itcmdb Generated
ITX-INGREDIENT-423AFD2D475A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
278.190
Molecular Formula
C17H26O3
Fda Maximum Daily Dose (Fdamdd)
0.028
Quantitative Estimate Of Drug Likeness（Qed）
0.574