Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4480
- Core Entity Id
- 8169
- Source Entity Count
- 1
- Preferred Name
- 3-hydroxy-4(8)-ene-p-menthane-3(9)-lactone
- Name En
- Pubchem Id
- 156203
- Smiles Canonical
- CC1CCC2=C(C(=O)OC2(C1)O)C
- Molecular Formula
- C10H14O3
- Molecular Weight
- 182.2190
- Inchikey
- LBNWZGLSMCTAQB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3
- Isomeric Smiles
- CC1CCC2=C(C(=O)OC2(C1)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.3683
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxy-4(8)-Ene-P-Menthane-3(9)-Lactone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Hydroxy-4(8)-Ene-P-Menthane-3(9)-Lactone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-Hydroxy-4(8)-ene-p-menthane-3(9)-lactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-hydroxy-4(8)-ene-p-menthane-3(9)-lactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-hydroxy-4(8)-ene-p-menthane-3(9)-lactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-hydroxy-4(8)-ene-p-menthane-3(9)-lactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-7a-hydroxy-3,6-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-7a-hydroxy-3,6-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,5,6,7,7a-hexahydro-7a-hydroxy-3,6-dimethyl-2-benzofuranone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,5,6,7,7a-hexahydro-7a-hydroxy-3,6-dimethyl-2-benzofuranone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6-Dimethyl-7a-hydroxy-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6-Dimethyl-7a-hydroxy-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
514-93-2
Role
alias
Source
HERB_v2
Preferred
No
Name
514-93-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
71656-71-8
Role
alias
Source
HERB_v2
Preferred
No
Name
71656-71-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
7A-hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7A-hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7a-Hydroxymintlactone
Role
alias
Source
HERB_v2
Preferred
No
Name
7a-Hydroxymintlactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Menthofuranoxide
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Menthofuranoxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 208-190-9
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 208-190-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Peperinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Peperinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-7a-hydroxy-3,6-dimethyl-2,4,5,6,7,7a-hexahydro-7a-hydroxy-3,6-dimethyl-2-benzofuranone3,6-Dimethyl-7a-hydroxy-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one514-93-271656-71-87A-hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one7a-HydroxymintlactoneD-MenthofuranoxideEINECS 208-190-9Peperinic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008657
Tcmid
10068
Sym Map
SMIT15837
Pub Chem
156203
Tcmbank
TCMBANKIN046451
Etcm Ingredient
3-Hydroxy-4(8)-ene-p-menthane-3(9)-lactone
Itcmdb Generated
ITX-INGREDIENT-5DCA6A4F11F2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3
Mol Wt
182.219
Smiles
CC1CCC2=C(C(=O)OC2(C1)O)C
Mol Log P
1.3683
Version
v1,v2
In Ch Ikey
LBNWZGLSMCTAQB-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/10069.mol2
Reference
2158
Num Hdonors
1
Drug Likeness
0.575
Num Hacceptors
3
Isomeric Smiles
CC1CCC2=C(C(=O)OC2(C1)O)C
Canonical Smiles
CC1CCC2=C(C(=O)OC2(C1)O)C
Herb Alias Names
Peperinic acid514-93-23,6-Dimethyl-7a-hydroxy-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one71656-71-82(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-7a-hydroxy-3,6-dimethyl-2,4,5,6,7,7a-hexahydro-7a-hydroxy-3,6-dimethyl-2-benzofuranone7A-hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-oneEINECS 208-190-9D-Menthofuranoxide7a-Hydroxymintlactone
Molecular Weight
182.090
Molecular Weight
182.22 g/mol
Molecule Formula
C10H14O3
Molecular Formula
C10H14O3
Molecular Formula
C10H14O3
Molecular Formula
C10H14O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.315
Quantitative Estimate Of Drug Likeness（Qed）
0.575