Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24544
- Core Entity Id
- 30470
- Source Entity Count
- 1
- Preferred Name
- Linalool (d)
- Name En
- Pubchem Id
- 67179
- Smiles Canonical
- CC(=CCCC(C)(C=C)O)C
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- CDOSHBSSFJOMGT-SNVBAGLBSA-N
- Inchi
- InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1
- Isomeric Smiles
- CC(=CCC[C@@](C)(C=C)O)C
- Cas Id
- 126-90-9
- Ob Score
- 38.2886
- Mol Logp
- 2.6698
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Linalool (D)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Linalool (d)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Linalool (d)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-Linalool
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Linalool
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S)-3,7-dimethylocta-1,6-dien-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S)-3,7-dimethylocta-1,6-dien-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S)-Linalool
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S)-Linalool
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-3,7-Dimethyl-1,6-octadien-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-3,7-Dimethyl-1,6-octadien-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-linalool
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-linalool
Role
alias
Source
HERB_v2
Preferred
No
Name
126-90-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
126-90-9
Role
alias
Source
HERB_v2
Preferred
No
Name
coriandrol
Role
alias
Source
HERB_v2
Preferred
No
Name
coriandrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-linalool
Role
alias
Source
HERB_v2
Preferred
No
Name
d-linalool
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Linalool(3S)-3,7-dimethylocta-1,6-dien-3-ol(3S)-Linalool(S)-3,7-Dimethyl-1,6-octadien-3-ol(S)-linalool126-90-9coriandrold-linalool
Cross References
Trusted external identifiers retained for this final record.
Cas
126-90-9
Herb
HBIN033267
Npass
NPC139546
Tcmid
23496
Tcmsp
MOL000920
Sym Map
SMIT01774SMIT03417
Tcm Id
4814
Pub Chem
67179
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1
Mol Wt
154.253
Cas Id
126-90-9
Mol Log P
2.669800000000001
Version
v1,v2
In Ch Ikey
CDOSHBSSFJOMGT-SNVBAGLBSA-N
Ob Score
38.2886452338.289
Suppress
0
Num Hdonors
1
Drug Likeness
0.617
Num Hacceptors
1
Isomeric Smiles
CC(=CCC[C@@](C)(C=C)O)C
Molecule Weight
154.28
Canonical Smiles
CC(=CCCC(C)(C=C)O)C
Herb Alias Names
126-90-9(+)-Linalool(S)-3,7-Dimethyl-1,6-octadien-3-olcoriandrold-linalool(3S)-3,7-dimethylocta-1,6-dien-3-ol(S)-linalool(3S)-Linalool(S)-(+)-LinaloolLinalool, (+)-
Molecular Formula
C10H18O
Num Rotatable Bonds
4