ITCMDBv1
IngredientID 12415

(-)-beta-fenchol

C10H18O

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Herb: 12Ingredient: 1Target: 4Links: 16
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
12415
Core Entity Id
16969
Source Entity Count
1
Preferred Name
(-)-beta-fenchol
Name En
Pubchem Id
61123
Smiles Canonical
CC1(C2CCC(C2)(C1O)C)C
Molecular Formula
C10H18O
Molecular Weight
154.2530
Inchikey
IAIHUHQCLTYTSF-WEDXCCLWSA-N
Inchi
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
Isomeric Smiles
C[C@]12CC[C@H](C1)C([C@@H]2O)(C)C
Cas Id
470-08-6
Ob Score
79.2410
Mol Logp
2.1935
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
0
Drug Likeness
0.5670
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
(-)-Beta-Fenchol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(-)-Beta-Fenchol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(-)-beta-Fenchol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(-)-beta-Fenchol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-beta-fenchol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-beta-fenchol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-(1S,2R,4R)-beta-Fenchol
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-.beta.-Fenchol
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-beta-Fenchyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-beta-Fenchyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-beta-Fenchyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2R,4R)-1,3,3-TRIMETHYL-BICYCLO[2.2.1]HEPTAN-2-OL
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2R,4R)-1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-OL
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2R,4R)-1,3,3-trimethyl-2-norbornanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2R,4R)-1,3,3-trimethylnorbornan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4R,6R)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol
Role
alias
Source
TCMBank
Preferred
No
Name
1,3,3-Trimethyl-2-norbornanol
Role
alias
Source
TCMBank
Preferred
No
Name
1,3,3-Trimethyl-2-norbornanol, (1S-exo)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,3-Trimethyl-2-norbornanol, (1S-exo)-
Role
alias
Source
TCMBank
Preferred
No
Name
1,3,3-Trimethyl-2-norbornanol, (1S-exo)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Norbornanol, 1,3,3-trimethyl-, (1S,2R,4R)-(-)-
Role
alias
Source
TCMBank
Preferred
No
Name
470-08-6
Role
alias
Source
HERB_v2
Preferred
No
Name
470-08-6
Role
alias
Source
TCMBank
Preferred
No
Name
470-08-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
850Y57G047
Role
alias
Source
HERB_v2
Preferred
No
Name
850Y57G047
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S,2R,4R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S,2R,4R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S-exo)-
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC04521487
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Fenchol, (-)-
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Fenchol, (-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fenchol, Exo-
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Fenchol, exo-
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fenchol,exo-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
.beta.-Fenchol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol, exo
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS030504033
Role
alias
Source
itcmdb_public
Preferred
No
Name
IAIHUHQCLTYTSF-JIBHNJPVSA-N
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(-)-(1S,2R,4R)-beta-Fenchol(-)-.beta.-Fenchol(-)-beta-Fenchyl alcohol(1S,2R,4R)-1,3,3-TRIMETHYL-BICYCLO[2.2.1]HEPTAN-2-OL(1S,2R,4R)-1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-OL(1S,2R,4R)-1,3,3-trimethyl-2-norbornanol(1S,2R,4R)-1,3,3-trimethylnorbornan-2-ol(1S,4R,6R)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol1,3,3-Trimethyl-2-norbornanol1,3,3-Trimethyl-2-norbornanol, (1S-exo)-2-Norbornanol, 1,3,3-trimethyl-, (1S,2R,4R)-(-)-470-08-6850Y57G047Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S,2R,4R)-Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S-exo)-ZINC04521487beta-Fenchol, (-)-Fenchol, Exo-Fenchol,exo-(2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.beta.-Fenchol1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol, exoAKOS030504033IAIHUHQCLTYTSF-JIBHNJPVSA-N

Cross References

Trusted external identifiers retained for this final record.

Cas
470-08-6
Herb
HBIN018118HBIN026427
Npass
NPC124093
Tcmid
42435
Tcmsp
MOL007553
Sym Map
SMIT08963SMIT23918
Pub Chem
6112371300291
Tcmbank
TCMBANKIN014154TCMBANKIN035186
Etcm Ingredient
(-)-beta-Fenchol
Itcmdb Generated
ITX-INGREDIENT-20477ED12ADAITX-INGREDIENT-4988453EECED

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
Mol Wt
154.253
Cas Id
470-08-6
Smiles
CC1(C2CCC(C2)(C1O)C)C
Mol Log P
2.1935
Version
v1,v2
In Ch Ikey
IAIHUHQCLTYTSF-WEDXCCLWSA-N
Ob Score
79.24179.2410095679.24101
Suppress
0
Num Hdonors
1
Drug Likeness
0.567
Num Hacceptors
1
Isomeric Smiles
C[C@]12CC[C@H](C1)C([C@@H]2O)(C)C
Molecule Weight
154.28
Canonical Smiles
CC1(C2CCC(C2)(C1O)C)C
Herb Alias Names
(-)-beta-Fenchyl alcohol470-08-6(1S,2R,4R)-1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-OL(-)-.beta.-Fenchol(1S,2R,4R)-1,3,3-TRIMETHYL-BICYCLO[2.2.1]HEPTAN-2-OL850Y57G0471,3,3-Trimethyl-2-norbornanol, (1S-exo)-Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S,2R,4R)-beta-Fenchol, (-)-
Molecular Weight
154.140
Molecular Weight
154.25
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.776
Quantitative Estimate Of Drug Likeness（Qed）
0.567