Relationship Network
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Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27003
- Core Entity Id
- 33204
- Source Entity Count
- 1
- Preferred Name
- Myrtanol
- Name En
- Pubchem Id
- 521314
- Smiles Canonical
- CC1(C2CCC(C1C2)CO)C
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- LDWAIHWGMRVEFR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3
- Isomeric Smiles
- CC1(C2CCC(C1C2)CO)C
- Cas Id
- Ob Score
- Mol Logp
- 2.0510
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Myrtanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Myrtanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Myrtanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
myrtanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
((1S,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-cis-Myrtanol
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-cis-Myrtanol, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2R)-10-Pinanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2R)-6,6-Dimethylbicyclo[3.1.1]heptane-2-methanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1beta,5beta)-6,6-Dimethylbicyclo[3.1.1]heptane-2alpha-methanol
Role
alias
Source
TCMBank
Preferred
No
Name
(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
51152-12-6
Role
alias
Source
TCMBank
Preferred
No
Name
514-99-8
Role
alias
Source
HERB_v2
Preferred
No
Name
514-99-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,6-dimethylbicyclo[3.1.1]heptane-2-methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,6-dimethylbicyclo[3.1.1]heptane-2-methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
7F5M346MU6
Role
alias
Source
HERB_v2
Preferred
No
Name
7F5M346MU6
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L38DM
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q2CC5
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006237611
Role
alias
Source
TCMBank
Preferred
No
Name
Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, (1S,2R,5S)-
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 208-191-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 208-191-4
Role
alias
Source
HERB_v2
Preferred
No
Name
LDWAIHWGMRVEFR-CIUDSAMLSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00066424
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL3653711
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-7F5M346MU6
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-7F5M346MU6
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC2242637
Role
alias
Source
TCMBank
Preferred
No
Name
[(1R,4R,5R)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2R)-10-Pinanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2R)-6,6-Dimethylbicyclo[3.1.1]heptane-2-methanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1alpha,2alpha,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol
Role
alias
Source
TCMBank
Preferred
No
Name
15358-91-5
Role
alias
Source
TCMBank
Preferred
No
Name
70117_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 239-395-1
Role
alias
Source
TCMBank
Preferred
No
Name
[(1R,2R,5R)-6,6-dimethyl-2-norpinanyl]methanol
Role
alias
Source
TCMBank
Preferred
No
Name
[(1R,2R,5R)-6,6-dimethylnorpinan-2-yl]methanol
Role
alias
Source
TCMBank
Preferred
No
Name
[(1R,2R,5R)-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
((1S,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol(-)-cis-Myrtanol(-)-cis-Myrtanol, analytical standard(1S,2R)-10-Pinanol(1S,2R)-6,6-Dimethylbicyclo[3.1.1]heptane-2-methanol(1beta,5beta)-6,6-Dimethylbicyclo[3.1.1]heptane-2alpha-methanol(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol51152-12-6514-99-86,6-dimethylbicyclo[3.1.1]heptane-2-methanol7F5M346MU6AC1L38DMAC1Q2CC5AKOS006237611Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, (1S,2R,5S)-EINECS 208-191-4LDWAIHWGMRVEFR-CIUDSAMLSA-NMFCD00066424SCHEMBL3653711UNII-7F5M346MU6ZINC2242637[(1R,4R,5R)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methanol(1R,2R)-10-Pinanol(1R,2R)-6,6-Dimethylbicyclo[3.1.1]heptane-2-methanol(1alpha,2alpha,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol15358-91-570117_FLUKAEINECS 239-395-1[(1R,2R,5R)-6,6-dimethyl-2-norpinanyl]methanol[(1R,2R,5R)-6,6-dimethylnorpinan-2-yl]methanol[(1R,2R,5R)-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036184
Npass
NPC56857
Tcmid
15210
Sym Map
SMIT16799
Pub Chem
52131484880
Tcmbank
TCMBANKIN010965TCMBANKIN032842
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3
Mol Wt
154.253
Smiles
CC1(C2CCC(C1C2)CO)C
Mol Log P
2.051
Version
v1,v2
In Ch Ikey
LDWAIHWGMRVEFR-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.613
Num Hacceptors
1
Isomeric Smiles
CC1(C2CCC(C1C2)CO)C
Canonical Smiles
CC1(C2CCC(C1C2)CO)C
Herb Alias Names
514-99-8(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol6,6-dimethylbicyclo[3.1.1]heptane-2-methanol7F5M346MU6EINECS 208-191-46,6-Dimethylbicyclo(3.1.1)heptane-2-methanol(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanolUNII-7F5M346MU6{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}methanol
Molecular Weight
154.25 g/mol
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Num Rotatable Bonds
1