IngredientID 49381
(3As,5R,8As,9As)-5,8A-Dimethyl-3-Methylene-5,6,7,8,9,9A-Hexahydro-3Ah-Benzo[F]Benzofuran-2-One
C15H20O2
Relationship Network
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Herb: 5Ingredient: 1Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 49381
- Core Entity Id
- 92392
- Source Entity Count
- 1
- Preferred Name
- (3As,5R,8As,9As)-5,8A-Dimethyl-3-Methylene-5,6,7,8,9,9A-Hexahydro-3Ah-Benzo[F]Benzofuran-2-One
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C15H20O2
- Molecular Weight
- 232.3200
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- 546-43-0
- Ob Score
- 53.2856
- 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
(3As,5R,8As,9As)-5,8A-Dimethyl-3-Methylene-5,6,7,8,9,9A-Hexahydro-3Ah-Benzo[F]Benzofuran-2-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3aS,5R,8aS,9aS)-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3aS,5R,8aS,9aS)-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3aS,5R,8aS,9aS)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzoxol-2-one
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3aS,5R,8aS,9aS)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzoxol-2-one
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN031445
Etcm Ingredient
(3aS,5R,8aS,9aS)-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one
Itcmdb Generated
ITX-INGREDIENT-4F21314BED14
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
53.28561753.28561714
Suppress
0
Molecule Weight
232.35
Molecular Weight
232.150
Molecular Weight
232.32
Molecular Formula
C15H20O2
Molecular Formula
C15H20O2
Fda Maximum Daily Dose (Fdamdd)
0.586
Quantitative Estimate Of Drug Likeness（Qed）
0.364