Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 11Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14630
- Core Entity Id
- 19426
- Source Entity Count
- 1
- Preferred Name
- Cis-5-hydroxy-p-menth-1(6)-en-2-one
- Name En
- Pubchem Id
- 6429208
- Smiles Canonical
- CC1=CC(C(CC1=O)C(C)C)O
- Molecular Formula
- C10H16O2
- Molecular Weight
- 168.2360
- Inchikey
- ZFUJCNJIGDBFEP-PSASIEDQSA-N
- Inchi
- InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10-/m1/s1
- Isomeric Smiles
- CC1=C[C@H]([C@H](CC1=O)C(C)C)O
- Cas Id
- Ob Score
- 42.6470
- Mol Logp
- 1.5386
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cis-5-Hydroxy-P-Menth-1(6)-En-2-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cis-5-Hydroxy-P-Menth-1(6)-En-2-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cis-5-hydroxy-p-menth-1(6)-en-2-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cis-5-hydroxy-p-menth-1(6)-en-2-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cis-5-Hydroxy-p-menth-1(6)-en-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cis-5-Hydroxy-p-menth-1(6)-en-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4S,5R)-4-hydroxy-2-methyl-5-propan-2-yl-cyclohex-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(4S,5R)-4-hydroxy-5-isopropyl-2-methyl-1-cyclohex-2-enone
Role
alias
Source
TCMBank
Preferred
No
Name
(4S,5R)-4-hydroxy-5-isopropyl-2-methyl-cyclohex-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
ZFUJCNJIGDBFEP-PSASIEDQSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZFUJCNJIGDBFEP-PSASIEDQSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4S,5R)-4-hydroxy-2-methyl-5-propan-2-yl-cyclohex-2-en-1-one(4S,5R)-4-hydroxy-5-isopropyl-2-methyl-1-cyclohex-2-enone(4S,5R)-4-hydroxy-5-isopropyl-2-methyl-cyclohex-2-en-1-oneZFUJCNJIGDBFEP-PSASIEDQSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020789
Tcmsp
MOL001248
Sym Map
SMIT03696
Pub Chem
6429208
Tcmbank
TCMBANKIN026031
Etcm Ingredient
cis-5-Hydroxy-p-menth-1(6)-en-2-one
Itcmdb Generated
ITX-INGREDIENT-6DBA2D54FB83
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10-/m1/s1
Mol Wt
168.236
Smiles
CC1=CC(C(CC1=O)C(C)C)O
Mol Log P
1.5386
Version
v1,v2
In Ch Ikey
ZFUJCNJIGDBFEP-PSASIEDQSA-N
Ob Score
42.64742.6471486642.647149
Suppress
0
Num Hdonors
1
Drug Likeness
0.644
Num Hacceptors
2
Isomeric Smiles
CC1=C[C@H]([C@H](CC1=O)C(C)C)O
Molecule Weight
168.26
Canonical Smiles
CC1=CC(C(CC1=O)C(C)C)O
Herb Alias Names
ZFUJCNJIGDBFEP-PSASIEDQSA-N
Molecular Weight
168.120
Molecular Weight
168.23 g/mol
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.598