IngredientID 41801
1,1Α,4,5,6,7,7Α,7Β-Octahydro-1,1,7,7Α-Tetra-Methyl-2H-Cyclopropa(Α)-Naphthalen-2-One
C15H22O
Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41801
- Core Entity Id
- 84812
- Source Entity Count
- 1
- Preferred Name
- 1,1Α,4,5,6,7,7Α,7Β-Octahydro-1,1,7,7Α-Tetra-Methyl-2H-Cyclopropa(Α)-Naphthalen-2-One
- Name En
- Pubchem Id
- 5320257
- Smiles Canonical
- CC1CC(=O)CC2=CCC3C(C3(C)C)C21C
- Molecular Formula
- C15H22O
- Molecular Weight
- 218.1700
- Inchikey
- NYVDTZCCCWPPPG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22O/c1-9-7-11(16)8-10-5-6-12-13(14(12,2)3)15(9,10)4/h5,9,12-13H,6-8H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- 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
1,1Α,4,5,6,7,7Α,7Β-Octahydro-1,1,7,7Α-Tetra-Methyl-2H-Cyclopropa(Α)-Naphthalen-2-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,1Α,4,5,6,7,7Α,7Β-Octahydro-1,1,7,7Α-Tetra-Methyl-2H-Cyclopropa(Α)-Naphthalen-2-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,1α,4,5,6,7,7α,7β-Octahydro-1,1,7,7α-tetramethyl-2H-cyclopropa(α)-naphthalen-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,1α,4,5,6,7,7α,7β-Octahydro-1,1,7,7α-tetramethyl-2H-cyclopropa(α)-naphthalen-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
五味子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
WU WEI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Magnoliavine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,1α,4,5,6,7,7α,7β-Octahydro-1,1,7,7α-tetramethyl-2H-cyclopropa(α)-naphthalen-2-one五味子WU WEI ZIChinese Magnoliavine
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20069
Tcmbank
TCMBANKIN005769TCMBANKIN015948
Etcm Ingredient
1,1α,4,5,6,7,7α,7β-Octahydro-1,1,7,7α-tetramethyl-2H-cyclopropa(α)-naphthalen-2-one
Itcmdb Generated
ITX-INGREDIENT-6D09B0DB471BITX-INGREDIENT-84B450AFAAD7ITX-INGREDIENT-E7052E1B69CD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1CC(=O)CC2=CCC3C(C12C)C3(C)C
Version
v2
Suppress
0
Tcm Name
五味子
Tcm Name2
WU WEI ZI
Mol2 Path
/TCM_database/2007_3d_all/15968.mol2
Reference
2
Tcm Name En
Chinese Magnoliavine
Molecular Weight
218.170
Molecular Formula
C15H22O
Molecular Formula
C15H22O
Fda Maximum Daily Dose (Fdamdd)
0.217
Quantitative Estimate Of Drug Likeness（Qed）
0.568