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
- 67162
- Core Entity Id
- 129811
- Source Entity Count
- 1
- Preferred Name
- 20-O-acetylingenol
- Name En
- Pubchem Id
- 132499025
- Smiles Canonical
- CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)O)COC(=O)C
- Molecular Formula
- C22H30O6
- Molecular Weight
- 390.2000
- Inchikey
- UYVVZRYSWYDKCS-AAQDATHQSA-N
- Inchi
- InChI=1S/C22H30O6/c1-10-8-21-11(2)6-15-16(20(15,4)5)14(19(21)26)7-13(9-28-12(3)23)18(25)22(21,27)17(10)24/h7-8,11,14-18,24-25,27H,6,9H2,1-5H3/t11-,14+,15-,16+,17+,18-,21?,22-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.2000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 104.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
20-O-acetylingenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
20-O-acetylingenol
Itcmdb Generated
ITX-INGREDIENT-C12BCC4AEF20
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
390.200
Molecular Formula
C22H30O6
Fda Maximum Daily Dose (Fdamdd)
0.998
Quantitative Estimate Of Drug Likeness（Qed）
0.486