IngredientID 39896
(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-acetoxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene
C24H36O6
Relationship Network
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Herb: 1Ingredient: 1Target: 4Links: 9
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39896
- Core Entity Id
- 77501
- Source Entity Count
- 1
- Preferred Name
- (1r*,3s*,4r*,6s*)-9-(acetoxy)-4-acetoxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C24H36O6
- Molecular Weight
- 420.2500
- 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
(1R*,3S*,4R*,6S*)-9-(Acetoxy)-4-acetoxy-1-[(2Z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-acetoxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-acetoxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-acetoxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003107
Tcmid
118
Tcmbank
TCMBANKIN050061
Etcm Ingredient
(1R*,3S*,4R*,6S*)-9-(Acetoxy)-4-acetoxy-1-[(2Z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene
Itcmdb Generated
ITX-INGREDIENT-B76960D55FB6
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/00118.mol2
Reference
4985, 5037
Molecular Weight
420.250
Molecular Formula
C24H36O6
Molecular Formula
C24H36O6
Molecular Formula
C24H36O6
Fda Maximum Daily Dose (Fdamdd)
0.028
Quantitative Estimate Of Drug Likeness（Qed）
0.245