Relationship Network
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Herb: 4Ingredient: 1Target: 22Links: 28
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17616
- Core Entity Id
- 22751
- Source Entity Count
- 1
- Preferred Name
- (-)-drimenol
- Name En
- Pubchem Id
- 3080551
- Smiles Canonical
- CC1=CCC2C(CCCC2(C1CO)C)(C)C
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.3720
- Inchikey
- HMWSKUKBAWWOJL-KCQAQPDRSA-N
- Inchi
- InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1
- Isomeric Smiles
- CC1=CC[C@@H]2[C@@]([C@H]1CO)(CCCC2(C)C)C
- Cas Id
- 468-68-8
- Ob Score
- 45.6610
- Mol Logp
- 3.7775
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Drimenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(-)-Drimenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(-)-Drimenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(-)-Drimenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-drimenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-drimenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-Drim-7-en-11-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S-(1alpha,4abeta,8aalpha))-1,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethyl-1-naphthalenemethanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S,4aS,8aS)-
Role
alias
Source
TCMBank
Preferred
No
Name
1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S-(1alpha,4abeta,8aalpha))-
Role
alias
Source
TCMBank
Preferred
No
Name
1-Naphthalenemethanol, 1alpha,4,4aalpha,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (-)-
Role
alias
Source
TCMBank
Preferred
No
Name
468-68-8
Role
alias
Source
HERB_v2
Preferred
No
Name
468-68-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACon1_002057
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:61148
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:61148
Role
alias
Source
itcmdb_public
Preferred
No
Name
Drim-7-en-11-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Drim-7-en-11-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Drimenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Drimenol, (-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 169775
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 169775
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
Role
alias
Source
TCMBank
Preferred
No
Name
delta7,(8)-15-Hydroxyiresane
Role
alias
Source
HERB_v2
Preferred
No
Name
delta7,(8)-15-Hydroxyiresane
Role
alias
Source
TCMBank
Preferred
No
Name
delta7,(8)-15-Hydroxyiresane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zinc05063142
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
ZINC05063142
Role
preferred
Source
TCMBank
Preferred
Yes
Name
[(1R,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Drim-7-en-11-ol(1S-(1alpha,4abeta,8aalpha))-1,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethyl-1-naphthalenemethanol1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S,4aS,8aS)-1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S-(1alpha,4abeta,8aalpha))-1-Naphthalenemethanol, 1alpha,4,4aalpha,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (-)-468-68-8ACon1_002057CHEBI:61148Drim-7-en-11-olDrimenolDrimenol, (-)-NSC 169775[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanoldelta7,(8)-15-HydroxyiresaneZinc05063142[(1R,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
Cross References
Trusted external identifiers retained for this final record.
Cas
468-68-819078-37-6
Herb
HBIN024498HBIN048980
Tcmsp
MOL007255MOL012766
Sym Map
SMIT08724SMIT13497
Pub Chem
308055111906485
Tcmbank
TCMBANKIN025409TCMBANKIN006960
Etcm Ingredient
(-)-Drimenol
Itcmdb Generated
ITX-INGREDIENT-BEA1DF2A1BD7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1
Mol Wt
222.3719999999999
Cas Id
468-68-8
Smiles
CC1=CCC2C(CCCC2(C1CO)C)(C)C
Mol Log P
3.777500000000003
Version
v1,v2
In Ch Ikey
HMWSKUKBAWWOJL-KCQAQPDRSA-N
Ob Score
45.66145.6614816945.661482
Suppress
0
Num Hdonors
1
Drug Likeness
0.669
Num Hacceptors
1
Isomeric Smiles
CC1=CC[C@@H]2[C@@]([C@H]1CO)(CCCC2(C)C)C
Molecule Weight
222.41
Canonical Smiles
CC1=CCC2C(CCCC2(C1CO)C)(C)C
Herb Alias Names
Drimenol468-68-8Drim-7-en-11-olDrimenol, (-)-(-)-Drim-7-en-11-oldelta7,(8)-15-HydroxyiresaneCHEBI:61148NSC 169775[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
Molecular Weight
222.200
Molecular Weight
222.37
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.225
Quantitative Estimate Of Drug Likeness（Qed）
0.669