IngredientID 3704

3,7-dimethyl-cyclopenta cyclooctene

C13H14

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Relationship Network

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Herb: 1Ingredient: 1Target: 10Links: 12
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
3704
Core Entity Id
7304
Source Entity Count
1
Preferred Name
3,7-dimethyl-cyclopenta cyclooctene
Name En
Pubchem Id
Smiles Canonical
Molecular Formula
C13H14
Molecular Weight
170.2700
Inchikey
Inchi
Isomeric Smiles
Cas Id
Ob Score
46.5147
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
3,7-Dimethyl-Cyclopenta Cyclooctene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,7-Dimethyl-Cyclopenta Cyclooctene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,7-dimethyl-cyclopenta cyclooctene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,7-dimethyl-cyclopenta cyclooctene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,7-dimethyl-cyclopenta cyclooctene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,7-dimethyl-cyclopenta cyclooctene
Role
preferred
Source
ETCM_v2
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN007804
Tcmsp
MOL010761
Sym Map
SMIT11757
Tcmbank
TCMBANKIN021511
Etcm Ingredient
3,7-dimethyl-cyclopenta cyclooctene
Itcmdb Generated
ITX-INGREDIENT-D515D8517CDC

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Version
v1,v2
Ob Score
46.5146759846.51467646.515
Suppress
0
Molecule Weight
170.27
Molecular Weight
170.110
Molecular Weight
170.27
Molecular Formula
C13H14
Fda Maximum Daily Dose (Fdamdd)
0.977
Quantitative Estimate Of Drug Likeness(Qed)
0.521