ITCMDBv1
IngredientID 1568

2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,10belta-triacetory-4(20),11-taxadiene

C31H46O8

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
1568
Core Entity Id
4932
Source Entity Count
1
Preferred Name
2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,10belta-triacetory-4(20),11-taxadiene
Name En
Pubchem Id
Smiles Canonical
Molecular Formula
C31H46O8
Molecular Weight
546.3200
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,10belta-triacetory-4(20),11-taxadiene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,10belta-triacetory-4(20),11-taxadiene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,10belta-triacetory-4(20),11-taxadiene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2alpha-(alpha-methylbutyrul)-oxy-5alpha,7belta,10belta-triacetory-4(20),11-taxadiene
Role
preferred
Source
itcmdb_public
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN005272
Tcmid
25519
Tcmbank
TCMBANKIN009644
Etcm Ingredient
2alpha-(alpha-Methylbutyrul)-oxy-5alpha,7belta,10belta-triacetory-4(20),11-taxadiene
Itcmdb Generated
ITX-INGREDIENT-BE607837556E

Attributes

Merged source attributes and domain-specific metadata.

Molecular Weight
546.320
Molecular Formula
C31H46O8
Molecular Formula
C31H46O8
Molecular Formula
C31H46O8
Fda Maximum Daily Dose (Fdamdd)
0.922
Quantitative Estimate Of Drug Likeness（Qed）
0.245