IngredientID 1553
2alpha,7beta-dibenzoyl-5beta,20-epoxy-1beta-hydroxy-4alpha,9alpha,10beta,13alpha-tetraacetoxytax-11-ene
C42H48O14
Relationship Network
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Herb: 4Ingredient: 1Links: 4
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1553
- Core Entity Id
- 4916
- Source Entity Count
- 1
- Preferred Name
- 2alpha,7beta-dibenzoyl-5beta,20-epoxy-1beta-hydroxy-4alpha,9alpha,10beta,13alpha-tetraacetoxytax-11-ene
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C42H48O14
- Molecular Weight
- 776.3000
- 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
2-alpha,7-beta-Dibenzoyl-5-beta,20-epoxy-1-beta-hydroxy-4-alpha,9-alpha,10-beta,13-alpha-tetra-acetoxytax-11-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2alpha,7beta-dibenzoyl-5beta,20-epoxy-1beta-hydroxy-4alpha,9alpha,10beta,13alpha-tetraacetoxytax-11-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2alpha,7beta-dibenzoyl-5beta,20-epoxy-1beta-hydroxy-4alpha,9alpha,10beta,13alpha-tetraacetoxytax-11-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2alpha,7beta-dibenzoyl-5beta,20-epoxy-1beta-hydroxy-4alpha,9alpha,10beta,13alpha-tetraacetoxytax-11-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2α,7β-dibenzoyl-5β,20-epoxy-1β-hydroxy-4α,9α,10β,13α-tetraacetoxytax-11-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
2α,7β-dibenzoyl-5β,20-epoxy-1β-hydroxy-4α,9α,10β,13α-tetraacetoxytax-11-ene
Role
alias
Source
TCMBank
Preferred
No
Name
2α,7β-dibenzoyl-5β,20-epoxy-1β-hydroxy-4α,9α,10β,13α-tetraacetoxytax-11-ene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-alpha,7-beta-Dibenzoyl-5-beta,20-epoxy-1-beta-hydroxy-4-alpha,9-alpha,10-beta,13-alpha-tetra-acetoxytax-11-ene2α,7β-dibenzoyl-5β,20-epoxy-1β-hydroxy-4α,9α,10β,13α-tetraacetoxytax-11-ene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005254
Tcmid
308965382
Tcmbank
TCMBANKIN042021
Etcm Ingredient
2-alpha,7-beta-Dibenzoyl-5-beta,20-epoxy-1-beta-hydroxy-4-alpha,9-alpha,10-beta,13-alpha-tetra-acetoxytax-11-ene
Itcmdb Generated
ITX-INGREDIENT-79280ADEDAC5
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2003_3d_all/2248.mol2
Reference
662
Herb Alias Names
2α,7β-dibenzoyl-5β,20-epoxy-1β-hydroxy-4α,9α,10β,13α-tetraacetoxytax-11-ene
Molecular Weight
776.300
Molecular Formula
C42H48O14
Molecular Formula
C42H48O14
Molecular Formula
C42H48O14
Fda Maximum Daily Dose (Fdamdd)
0.050
Quantitative Estimate Of Drug Likeness（Qed）
0.214