IngredientID 1569
2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,9alpha,10belta-tetraacetoxy-4(20),11-taxadiene
C33H48O10
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Herb: 3Ingredient: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1569
- Core Entity Id
- 4934
- Source Entity Count
- 1
- Preferred Name
- 2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,9alpha,10belta-tetraacetoxy-4(20),11-taxadiene
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C33H48O10
- Molecular Weight
- 604.3200
- 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
2Alpha-(Alpha-Methylbutyrul)-Oxy-5Alpha,7Belta,9Alpha,10Belta-Tetraacetoxy-4(20),11-Taxadiene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2Alpha-(Alpha-Methylbutyrul)-Oxy-5Alpha,7Belta,9Alpha,10Belta-Tetraacetoxy-4(20),11-Taxadiene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2alpha-(alpha-Methylbutyrul)-oxy-5alpha,7belta,9alpha,10belta-tetraacetoxy-4(20),11-taxadiene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,9alpha,10belta-tetraacetoxy-4(20),11-taxadiene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,9alpha,10belta-tetraacetoxy-4(20),11-taxadiene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,9alpha,10belta-tetraacetoxy-4(20),11-taxadiene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005273
Tcmid
25520
Sym Map
SMIT18889
Tcmbank
TCMBANKIN042627
Etcm Ingredient
2alpha-(alpha-Methylbutyrul)-oxy-5alpha,7belta,9alpha,10belta-tetraacetoxy-4(20),11-taxadiene
Itcmdb Generated
ITX-INGREDIENT-95E8550C5641
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Mol2 Path
/TCM_database/2003_3d_all/5523.mol2
Reference
662
Molecular Weight
604.320
Molecular Formula
C33H48O10
Fda Maximum Daily Dose (Fdamdd)
0.339
Quantitative Estimate Of Drug Likeness（Qed）
0.222