IngredientID 39138
1beta,2beta-diacetoxy-6alpha-benzoyloxy-9alpha-cinnamoyl-oxy-beta-dihydroagarofuran
C35H40O9
Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39138
- Core Entity Id
- 71028
- Source Entity Count
- 1
- Preferred Name
- 1beta,2beta-diacetoxy-6alpha-benzoyloxy-9alpha-cinnamoyl-oxy-beta-dihydroagarofuran
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C35H40O9
- Molecular Weight
- 604.2700
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-beta,2-beta-Diacetoxy-6-alpha-benzoyloxy-9-alpha-cinnamoyloxy--beta-dihydro-agarofuran
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1beta,2beta-diacetoxy-6alpha-benzoyloxy-9alpha-cinnamoyl-oxy-beta-dihydroagarofuran
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1beta,2beta-diacetoxy-6alpha-benzoyloxy-9alpha-cinnamoyl-oxy-beta-dihydroagarofuran
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1-beta,2-beta-Diacetoxy-6-alpha-benzoyloxy-9-alpha-cinnamoyloxy--beta-dihydro-agarofuran
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002353
Tcmid
5284
Etcm Ingredient
1-beta,2-beta-Diacetoxy-6-alpha-benzoyloxy-9-alpha-cinnamoyloxy--beta-dihydro-agarofuran
Itcmdb Generated
ITX-INGREDIENT-ACE17912BFE5
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
604.270
Molecular Formula
C35H40O9
Molecular Formula
C35H40O9
Fda Maximum Daily Dose (Fdamdd)
0.346
Quantitative Estimate Of Drug Likeness（Qed）
0.236