Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16067
- Core Entity Id
- 21027
- Source Entity Count
- 1
- Preferred Name
- D-1-o-methyl-myo-in-ositol
- Name En
- Pubchem Id
- 440078
- Smiles Canonical
- COC1C(C(C(C(C1O)O)O)O)O
- Molecular Formula
- C7H14O6
- Molecular Weight
- 194.1830
- Inchikey
- DSCFFEYYQKSRSV-DQUUFWEPSA-N
- Inchi
- InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5-,6-,7?/m1/s1
- Isomeric Smiles
- COC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.1805
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
D-1-o-methyl-myo-in-ositol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
D-1-o-methyl-myo-in-ositol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-o-methyl-d-myo-inositol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-o-methyl-d-myo-inositol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1D-1-O-Methyl-myo-inositol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1D-1-O-Methyl-myo-inositol
Role
alias
Source
HERB_v2
Preferred
No
Name
484-71-9
Role
alias
Source
HERB_v2
Preferred
No
Name
484-71-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bornesitol, (-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-(-)-bornesitol
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Myo-inositol, 1-O-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Myo-inositol, 1-O-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-bornesitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
RW8AP5YP8U
Role
alias
Source
HERB_v2
Preferred
No
Name
RW8AP5YP8U
Role
alias
Source
itcmdb_public
Preferred
No
Name
bornesitol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-o-methyl-d-myo-inositol1D-1-O-Methyl-myo-inositol484-71-9Bornesitol, (-)-D-(-)-bornesitolD-Myo-inositol, 1-O-methyl-D-bornesitolRW8AP5YP8Ubornesitol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022533
Npass
NPC236271
Tcmid
40235
Pub Chem
440078
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5-,6-,7?/m1/s1
Mol Wt
194.183
Mol Log P
-3.180499999999999
In Ch Ikey
DSCFFEYYQKSRSV-DQUUFWEPSA-N
Num Hdonors
5
Drug Likeness
0.301
Num Hacceptors
6
Isomeric Smiles
COC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O
Canonical Smiles
COC1C(C(C(C(C1O)O)O)O)O
Herb Alias Names
bornesitol1D-1-O-Methyl-myo-inositol(-)-bornesitolD-(-)-bornesitolD-bornesitol484-71-9Bornesitol, (-)-RW8AP5YP8U1-o-methyl-d-myo-inositolD-Myo-inositol, 1-O-methyl-
Molecular Formula
C7H14O6
Num Rotatable Bonds
1