ITCMDBv1
IngredientID 38023

1,2-dihydroxy-8(9)-ene-p-menthane

C10H18O2

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Herb: 4Ingredient: 1Links: 4
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
38023
Core Entity Id
61187
Source Entity Count
1
Preferred Name
1,2-dihydroxy-8(9)-ene-p-menthane
Name En
Pubchem Id
441246
Smiles Canonical
CC(=C)C1CCC(C(C1)O)(C)O
Molecular Formula
C10H18O2
Molecular Weight
170.2520
Inchikey
WKZWTZTZWGWEGE-UTLUCORTSA-N
Inchi
InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
Isomeric Smiles
CC(=C)[C@@H]1CC[C@]([C@H](C1)O)(C)O
Cas Id
Ob Score
Mol Logp
1.4745
Num H Donors
2
Num H Acceptors
2
Num Rotatable Bonds
1
Drug Likeness
0.5850
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
1,2-Dihydroxy-8(9)-Ene-P-Menthane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,2-Dihydroxy-8(9)-ene-p-menthane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2-dihydroxy-8(9)-ene-p-menthane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,2-dihydroxy-8(9)-ene-p-menthane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
荆芥
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JING JIE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Fineleaf Schizonepeta
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+/-)-1-Hydroxyneodihydrocarveol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-1-Hydroxyneodihydrocarveol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2S,4R)-Limonene-1,2-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2S,4R)-Limonene-1,2-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2S,4R)-p-Menth-8-ene-1,2-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2S,4R)-p-Menth-8-ene-1,2-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1S,2S,4R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1S,2S,4R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
38630-75-0
Role
alias
Source
HERB_v2
Preferred
No
Name
38630-75-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-p-Menthene-1,2-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
8-p-Menthene-1,2-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
B9MU2A776W
Role
alias
Source
itcmdb_public
Preferred
No
Name
B9MU2A776W
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA no. 4409
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA no. 4409
Role
alias
Source
itcmdb_public
Preferred
No
Name
Limonene glycol
Role
alias
Source
HERB_v2
Preferred
No
Name
Limonene glycol
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-B9MU2A776W
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-B9MU2A776W
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

荆芥JING JIEFineleaf Schizonepeta(+/-)-1-Hydroxyneodihydrocarveol(1S,2S,4R)-Limonene-1,2-diol(1S,2S,4R)-p-Menth-8-ene-1,2-diol1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1S,2S,4R)-38630-75-08-p-Menthene-1,2-diolB9MU2A776WFEMA no. 4409Limonene glycolUNII-B9MU2A776W

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN000807
Npass
NPC253448
Tcmid
137225867
Sym Map
SMIT15106
Pub Chem
441246
Tcmbank
TCMBANKIN019134
Itcmdb Generated
ITX-INGREDIENT-4EEAD34BF296

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
Mol Wt
170.252
Mol Log P
1.4745
Version
v1,v2
In Ch Ikey
WKZWTZTZWGWEGE-UTLUCORTSA-N
Suppress
0
Tcm Name
荆芥
Tcm Name2
JING JIE
Mol2 Path
/TCM_database/2007_3d_all/05868.mol2
Reference
2158
Num Hdonors
2
Tcm Name En
Fineleaf Schizonepeta
Drug Likeness
0.585
Num Hacceptors
2
Isomeric Smiles
CC(=C)[C@@H]1CC[C@]([C@H](C1)O)(C)O
Canonical Smiles
CC(=C)C1CCC(C(C1)O)(C)O
Herb Alias Names
(1S,2S,4R)-Limonene-1,2-diol38630-75-0Limonene glycol8-p-Menthene-1,2-diolFEMA no. 4409(1S,2S,4R)-p-Menth-8-ene-1,2-diol1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1S,2S,4R)-UNII-B9MU2A776WB9MU2A776W(+/-)-1-Hydroxyneodihydrocarveol
Molecule Formula
C10H18O3
Molecular Formula
C10H18O2
Num Rotatable Bonds
1