IngredientID 40028
(1s,4s,4as,6s,8as)-4-isopropyl-1,6-dimethyldecahydronaphthalene
C15H28
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Herb: 12Ingredient: 1Links: 12
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40028
- Core Entity Id
- 79251
- Source Entity Count
- 1
- Preferred Name
- (1s,4s,4as,6s,8as)-4-isopropyl-1,6-dimethyldecahydronaphthalene
- Name En
- Pubchem Id
- 9548708
- Smiles Canonical
- CC1CCC2C(CCC(C2C1)C(C)C)C
- Molecular Formula
- C15H28
- Molecular Weight
- 208.3890
- Inchikey
- FZZNNPQZDRVKLU-YTFOTSKYSA-N
- Inchi
- InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3/t11-,12-,13-,14-,15-/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@H]2[C@H](CC[C@H]([C@@H]2C1)C(C)C)C
- Cas Id
- Ob Score
- 23.2916
- Mol Logp
- 4.7409
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S,4S,4As,6S,8As)-4-Isopropyl-1,6-Dimethyldecahydronaphthalene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1S,4S,4As,6S,8As)-4-Isopropyl-1,6-Dimethyldecahydronaphthalene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthalene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthalene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1s,4s,4as,6s,8as)-4-isopropyl-1,6-dimethyldecahydronaphthalene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1s,4s,4as,6s,8as)-4-isopropyl-1,6-dimethyldecahydronaphthalene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyl-decalin
Role
alias
Source
TCMBank
Preferred
No
Name
483-73-8
Role
alias
Source
HERB_v2
Preferred
No
Name
483-73-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:36513
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:36513
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:36513
Role
alias
Source
TCMBank
Preferred
No
Name
Cadinane
Role
alias
Source
HERB_v2
Preferred
No
Name
Cadinane
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID301020553
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID301020553
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27116864
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27116864
Role
alias
Source
itcmdb_public
Preferred
No
Name
[1S-(1I+/-,4I+/-,4aI+/-,6I+/-,8aI(2))]-decahydro-1,6-dimethyl-4- (1-methylethyl)naphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
[1S-(1I+/-,4I+/-,4aI+/-,6I+/-,8aI(2))]-decahydro-1,6-dimethyl-4- (1-methylethyl)naphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene(1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyl-decalin483-73-8CHEBI:36513CadinaneDTXSID301020553Q27116864[1S-(1I+/-,4I+/-,4aI+/-,6I+/-,8aI(2))]-decahydro-1,6-dimethyl-4- (1-methylethyl)naphthalene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003286
Tcmsp
MOL007493
Sym Map
SMIT08915
Pub Chem
9548708
Tcmbank
TCMBANKIN012209
Etcm Ingredient
(1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthalene
Itcmdb Generated
ITX-INGREDIENT-303901E631DC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3/t11-,12-,13-,14-,15-/m0/s1
Mol Wt
208.389
Smiles
CC1CCC2C(CCC(C2C1)C(C)C)C
Mol Log P
4.740900000000004
Version
v1,v2
In Ch Ikey
FZZNNPQZDRVKLU-YTFOTSKYSA-N
Ob Score
23.29163623.291636323.292
Suppress
0
Num Hdonors
0
Drug Likeness
0.584
Num Hacceptors
0
Isomeric Smiles
C[C@H]1CC[C@H]2[C@H](CC[C@H]([C@@H]2C1)C(C)C)C
Molecule Weight
208.43
Canonical Smiles
CC1CCC2C(CCC(C2C1)C(C)C)C
Herb Alias Names
Cadinane483-73-8CHEBI:36513(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthaleneDTXSID301020553Q27116864[1S-(1I+/-,4I+/-,4aI+/-,6I+/-,8aI(2))]-decahydro-1,6-dimethyl-4- (1-methylethyl)naphthalene
Molecular Weight
208.220
Molecular Weight
208.38 g/mol
Molecular Formula
C15H28
Molecular Formula
C15H28
Molecular Formula
C15H28
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.036
Quantitative Estimate Of Drug Likeness（Qed）
0.584