IngredientID 65979
1,2,3,4,5,6-hexahydro-1,1,5,5-tetramethyl-2,4a-methanonaphthalen-7(4aH)-one
C15H22O
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65979
- Core Entity Id
- 128628
- Source Entity Count
- 1
- Preferred Name
- 1,2,3,4,5,6-hexahydro-1,1,5,5-tetramethyl-2,4a-methanonaphthalen-7(4aH)-one
- Name En
- Pubchem Id
- 90971
- Smiles Canonical
- CC1(CC(=O)C=C2C13CCC(C3)C2(C)C)C
- Molecular Formula
- C15H22O
- Molecular Weight
- 218.1700
- Inchikey
- LGSKOQUJWNADCQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10H,5-6,8-9H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.6000
- 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
1,2,3,4,5,6-hexahydro-1,1,5,5-tetramethyl-2,4a-methanonaphthalen-7(4aH)-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2,3,4,5,6-hexahydro-1,1,5,5-tetramethyl-2,4a-methanonaphthalen-7(4aH)-one
Itcmdb Generated
ITX-INGREDIENT-8143272A553B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
218.170
Molecular Formula
C15H22O
Fda Maximum Daily Dose (Fdamdd)
0.683
Quantitative Estimate Of Drug Likeness（Qed）
0.605