IngredientID 28245

(+)-octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-7(1h)-one

C15H24O

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Relationship Network

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Herb: 1Ingredient: 1Target: 1Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
28245
Core Entity Id
34580
Source Entity Count
1
Preferred Name
(+)-octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-7(1h)-one
Name En
Pubchem Id
Smiles Canonical
Molecular Formula
C15H24O
Molecular Weight
220.3900
Inchikey
Inchi
Isomeric Smiles
Cas Id
Ob Score
67.7345
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
(+)-Octahydro-4,8,8,9-Tetramethyl-1,4-Methanoazulen-7(1H)-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+)-Octahydro-4,8,8,9-Tetramethyl-1,4-Methanoazulen-7(1H)-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-Octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-7(1H)-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-Octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-7(1H)-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-7(1h)-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-7(1h)-one
Role
preferred
Source
itcmdb_public
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN037782
Tcmsp
MOL003442
Sym Map
SMIT05507
Tcmbank
TCMBANKIN013335
Etcm Ingredient
(+)-Octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-7(1H)-one
Itcmdb Generated
ITX-INGREDIENT-239E6E04462B

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Version
v1,v2
Ob Score
67.73451167.7345110367.735
Suppress
0
Molecule Weight
220.39
Molecular Weight
220.180
Molecular Weight
220.39
Molecular Formula
C15H24O
Fda Maximum Daily Dose (Fdamdd)
0.344
Quantitative Estimate Of Drug Likeness(Qed)
0.608