Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Target: 9Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32798
- Core Entity Id
- 39648
- Source Entity Count
- 1
- Preferred Name
- Schizonol
- Name En
- Pubchem Id
- 11062797
- Smiles Canonical
- CC1CC=C(C(=O)C1)C(C)(C)O
- Molecular Formula
- C10H16O2
- Molecular Weight
- 168.2360
- Inchikey
- SNBPZAIQWQXUCR-SSDOTTSWSA-N
- Inchi
- InChI=1S/C10H16O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h5,7,12H,4,6H2,1-3H3/t7-/m1/s1
- Isomeric Smiles
- C[C@@H]1CC=C(C(=O)C1)C(C)(C)O
- Cas Id
- Ob Score
- 57.7524
- Mol Logp
- 1.6827
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Schizonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Schizonol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Schizonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Schizonol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
schizonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-1R-8-Hydroxy-p-menth-4-en-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-1R-8-Hydroxy-p-menth-4-en-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-1R-8-Hydroxy-p-menth-4-en-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
(5R)-2-(2-HYDROXYPROPAN-2-YL)-5-METHYLCYCLOHEX-2-EN-1-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
(5R)-5-Methyl-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one #
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one #
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one #
Role
alias
Source
TCMBank
Preferred
No
Name
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
35736-66-4
Role
alias
Source
HERB_v2
Preferred
No
Name
35736-66-4
Role
alias
Source
TCMBank
Preferred
No
Name
35736-66-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
CTK1B6730
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID80453772
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID80453772
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80453772
Role
alias
Source
itcmdb_public
Preferred
No
Name
SNBPZAIQWQXUCR-SSDOTTSWSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SNBPZAIQWQXUCR-SSDOTTSWSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
SNBPZAIQWQXUCR-SSDOTTSWSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Schizonol
Role
alias
Source
TCMBank
Preferred
No
Name
8-hydroxy- p -menth-4-en-3-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-hydroxy-p -menth-4-en-3-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-hydroxy-p-menth-4-en-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
83212-19-5
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40339508
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL10614255
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-1R-8-Hydroxy-p-menth-4-en-3-one(5R)-2-(2-HYDROXYPROPAN-2-YL)-5-METHYLCYCLOHEX-2-EN-1-ONE(5R)-5-Methyl-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1-one2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one #2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-35736-66-4CTK1B6730DTXSID80453772SNBPZAIQWQXUCR-SSDOTTSWSA-N8-hydroxy- p -menth-4-en-3-one8-hydroxy-p -menth-4-en-3-one8-hydroxy-p-menth-4-en-3-one83212-19-5DTXSID40339508SCHEMBL10614255
Cross References
Trusted external identifiers retained for this final record.
Cas
35048-94-3
Herb
HBIN043380HBIN013793
Npass
NPC232527NPC323466
Tcmid
19494
Tcmsp
MOL011855
Sym Map
SMIT01612SMIT12702
Tcm Id
1180238797357
Pub Chem
11062797556628
Tcmbank
TCMBANKIN014360TCMBANKIN016134
Etcm Ingredient
Schizonol
Itcmdb Generated
ITX-INGREDIENT-6E276F264808
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h5,7,12H,4,6H2,1-3H3/t7-/m1/s1
Mol Wt
168.236
Smiles
CC1CC=C(C(=O)C1)C(C)(C)O
Mol Log P
1.6827
Version
v1,v2
In Ch Ikey
SNBPZAIQWQXUCR-SSDOTTSWSA-N
Ob Score
57.75239511
Suppress
1
Num Hdonors
1
Drug Likeness
0.646
Num Hacceptors
2
Isomeric Smiles
C[C@@H]1CC=C(C(=O)C1)C(C)(C)O
Molecule Weight
168.26
Canonical Smiles
CC1CC=C(C(=O)C1)C(C)(C)O
Herb Alias Names
35736-66-42-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-DTXSID80453772SNBPZAIQWQXUCR-SSDOTTSWSA-N(-)-1R-8-Hydroxy-p-menth-4-en-3-one2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one #
Molecular Weight
168.120
Molecular Weight
168.23 g/mol
Molecule Formula
C10H16O2
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Num Rotatable Bonds
1
Link Ingredient Id
1612.0
Fda Maximum Daily Dose (Fdamdd)
0.037
Quantitative Estimate Of Drug Likeness（Qed）
0.603