IngredientID 62372

(3E,7E)-3,7-Dimethyl-10-(Propan-2-Ylidene)Cyclodeca-3,7-Dienone

C15H22O

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Herb: 2Ingredient: 1Links: 2
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
62372
Core Entity Id
109390
Source Entity Count
1
Preferred Name
(3E,7E)-3,7-Dimethyl-10-(Propan-2-Ylidene)Cyclodeca-3,7-Dienone
Name En
Pubchem Id
6436348
Smiles Canonical
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
Molecular Formula
C15H22O
Molecular Weight
218.3300
Inchikey
CAULGCQHVOVVRN-SWZPTJTJSA-N
Inchi
InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
3.5000
Num H Donors
0
Num H Acceptors
1
Num Rotatable Bonds
0
Drug Likeness
Polar Surface Area
17.1000
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
(3E,7E)-3,7-Dimethyl-10-(Propan-2-Ylidene)Cyclodeca-3,7-Dienone
Role
preferred
Source
SymMap_v2
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Sym Map
SMIT19815

Attributes

Merged source attributes and domain-specific metadata.

Type
Blood ingredients
Version
v2
Suppress
0
Molecule Formula
C15H22O