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
- 39914
- Core Entity Id
- 77700
- Source Entity Count
- 1
- Preferred Name
- (1r,4s)-1-hydroperoxy-p-menth-2-en-8-olacetate
- Name En
- Pubchem Id
- 10889657
- Smiles Canonical
- CC(=O)OC(C)(C)C1CCC(C=C1)(C)OO
- Molecular Formula
- C12H20O4
- Molecular Weight
- 228.2880
- Inchikey
- VIUQTXYGNHOJBD-PWSUYJOCSA-N
- Inchi
- InChI=1S/C12H20O4/c1-9(13)15-11(2,3)10-5-7-12(4,16-14)8-6-10/h5,7,10,14H,6,8H2,1-4H3/t10-,12+/m1/s1
- Isomeric Smiles
- CC(=O)OC(C)(C)[C@H]1CC[C@@](C=C1)(C)OO
- Cas Id
- Ob Score
- Mol Logp
- 2.5426
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1r,4s)-1-hydroperoxy-p-menth-2-en-8-olacetate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1r,4s)-1-hydroperoxy-p-menth-2-en-8-olacetate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
月桂叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUE GUI YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Grecian Laurel Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,4S)-1-hydroperoxy-p-menth-2-en-8-ol acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,4S)-1-hydroperoxy-p-menth-2-en-8-ol acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[(1S,4R)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl]propan-2-yl acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[(1S,4R)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl]propan-2-yl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
497233-30-4
Role
alias
Source
HERB_v2
Preferred
No
Name
497233-30-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66035
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66035
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27134539
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27134539
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetate月桂叶YUE GUI YEGrecian Laurel Leaf(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetic acid2-[(1S,4R)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl]propan-2-yl acetate497233-30-4CHEBI:66035Q27134539
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003132
Npass
NPC113079
Tcmid
9731
Pub Chem
10889657
Tcmbank
TCMBANKIN008772TCMBANKIN023959
Etcm Ingredient
(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetate
Itcmdb Generated
ITX-INGREDIENT-56E14EEA07BCITX-INGREDIENT-BAAAD00C1153
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H20O4/c1-9(13)15-11(2,3)10-5-7-12(4,16-14)8-6-10/h5,7,10,14H,6,8H2,1-4H3/t10-,12+/m1/s1
Mol Wt
228.288
Smiles
CC(=O)OC(C)(C)C1CCC(C=C1)(C)OO
Mol Log P
2.5426
In Ch Ikey
VIUQTXYGNHOJBD-PWSUYJOCSA-N
Tcm Name
月桂叶
Tcm Name2
YUE GUI YE
Mol2 Path
/TCM_database/2007_3d_all/09732.mol2
Reference
4248
Num Hdonors
1
Tcm Name En
Grecian Laurel Leaf
Drug Likeness
0.349
Num Hacceptors
4
Isomeric Smiles
CC(=O)OC(C)(C)[C@H]1CC[C@@](C=C1)(C)OO
Canonical Smiles
CC(=O)OC(C)(C)C1CCC(C=C1)(C)OO
Herb Alias Names
(1R,4S)-1-hydroperoxy-p-menth-2-en-8-ol acetateCHEBI:660352-[(1S,4R)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl]propan-2-yl acetate2-((1S,4R)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl)propan-2-yl acetateQ27134539(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetic acid497233-30-4
Molecular Weight
228.140
Molecular Weight
228.28 g/mol
Molecular Formula
C12H20O4
Molecular Formula
C12H20O4
Molecular Formula
C12H20O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.047
Quantitative Estimate Of Drug Likeness（Qed）
0.349