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
- 40039
- Core Entity Id
- 79389
- Source Entity Count
- 1
- Preferred Name
- (?)-(1s,4s)-p-mentha-2,8-dien-1-hydroperoxide
- Name En
- Pubchem Id
- 10329704
- Smiles Canonical
- CC(=C)C1CCC(C=C1)(C)OO
- Molecular Formula
- C10H16O2
- Molecular Weight
- 168.2360
- Inchikey
- LCOVCELWSKTKHX-NXEZZACHSA-N
- Inchi
- InChI=1S/C10H16O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m1/s1
- Isomeric Smiles
- CC(=C)[C@H]1CC[C@](C=C1)(C)OO
- Cas Id
- Ob Score
- Mol Logp
- 2.7770
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(?)-(1s,4s)-p-mentha-2,8-dien-1-hydroperoxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-(1s,4s)-p-mentha-2,8-dien-1-hydroperoxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(−)-(1S,4S)-p-Mentha-2,8-dien-1-hydroperoxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
土荆芥
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TU JING JIE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mexican Tea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL467825
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL467825
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(−)-(1S,4S)-p-Mentha-2,8-dien-1-hydroperoxide土荆芥TU JING JIEMexican TeaCHEMBL467825
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003299
Npass
NPC294358
Tcmid
13713
Pub Chem
10329704
Tcmbank
TCMBANKIN019712
Itcmdb Generated
ITX-INGREDIENT-9EBE7A9FEF96
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m1/s1
Mol Wt
168.236
Mol Log P
2.777000000000001
In Ch Ikey
LCOVCELWSKTKHX-NXEZZACHSA-N
Tcm Name
土荆芥
Tcm Name2
TU JING JIE
Mol2 Path
/TCM_database/2007_3d_all/13720.mol2
Reference
4619
Num Hdonors
1
Tcm Name En
Mexican Tea
Drug Likeness
0.39
Num Hacceptors
2
Isomeric Smiles
CC(=C)[C@H]1CC[C@](C=C1)(C)OO
Canonical Smiles
CC(=C)C1CCC(C=C1)(C)OO
Herb Alias Names
CHEMBL467825
Molecular Formula
C10H16O2
Num Rotatable Bonds
2