Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35760
- Core Entity Id
- 42936
- Source Entity Count
- 1
- Preferred Name
- Trihydroxymenthane
- Name En
- Pubchem Id
- 528375
- Smiles Canonical
- CC(C)C1(CCC(C(C1)O)(C)O)O
- Molecular Formula
- C10H20O3
- Molecular Weight
- 188.2670
- Inchikey
- RKROZYQLIWCOBD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H20O3/c1-7(2)10(13)5-4-9(3,12)8(11)6-10/h7-8,11-13H,4-6H2,1-3H3
- Isomeric Smiles
- CC(C)C1(CCC(C(C1)O)(C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6693
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Trihydroxymenthane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Trihydroxymenthane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Trihydroxymenthane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Trihydroxymenthane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
trihydroxyMenthane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,2S,4S)-4-Isopropyl-1-methylcyclohexane-1,2,4-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2S,4S)-4-Isopropyl-1-methylcyclohexane-1,2,4-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,4-Trihydroxymenthan
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,4-Trihydroxymenthan
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2,4-trihydroxymenthane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,4-trihydroxymenthane
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-epoxy-p-menthane-2,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-epoxy-p-menthane-2,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methyl-4-propan-2-ylcyclohexane-1,2,4-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methyl-4-propan-2-ylcyclohexane-1,2,4-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
36150-04-6
Role
alias
Source
HERB_v2
Preferred
No
Name
36150-04-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Compound NP-024795
Role
alias
Source
HERB_v2
Preferred
No
Name
Compound NP-024795
Role
alias
Source
itcmdb_public
Preferred
No
Name
Menthane, 1,2,4-trihydroxy
Role
alias
Source
itcmdb_public
Preferred
No
Name
Menthane, 1,2,4-trihydroxy
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12501535
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12501535
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-menthane-1,2,4-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-menthane-1,2,4-triol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1S,2S,4S)-4-Isopropyl-1-methylcyclohexane-1,2,4-triol1,2,4-Trihydroxymenthan1,2,4-trihydroxymenthane1,4-epoxy-p-menthane-2,3-diol1-methyl-4-propan-2-ylcyclohexane-1,2,4-triol36150-04-6Compound NP-024795Menthane, 1,2,4-trihydroxySCHEMBL12501535p-menthane-1,2,4-triol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047084
Npass
NPC216768
Tcmid
38105
Sym Map
SMIT27317
Pub Chem
528375
Tcmbank
TCMBANKIN004268
Itcmdb Generated
ITX-INGREDIENT-66DCF6212002
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H20O3/c1-7(2)10(13)5-4-9(3,12)8(11)6-10/h7-8,11-13H,4-6H2,1-3H3
Mol Wt
188.267
Smiles
CC(C)C1(CCC(C(C1)O)(C)O)O
Mol Log P
0.6692999999999998
Version
v2
In Ch Ikey
RKROZYQLIWCOBD-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.567
Num Hacceptors
3
Isomeric Smiles
CC(C)C1(CCC(C(C1)O)(C)O)O
Canonical Smiles
CC(C)C1(CCC(C(C1)O)(C)O)O
Herb Alias Names
p-menthane-1,2,4-triol1,4-epoxy-p-menthane-2,3-diol1-methyl-4-propan-2-ylcyclohexane-1,2,4-triol1,2,4-trihydroxymenthane36150-04-61,2,4-TrihydroxymenthanCompound NP-024795(1S,2S,4S)-4-Isopropyl-1-methylcyclohexane-1,2,4-triolMenthane, 1,2,4-trihydroxySCHEMBL12501535
Molecular Formula
C10H20O3
Molecular Formula
C10H20O3
Num Rotatable Bonds
1