Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14023
- Core Entity Id
- 18755
- Source Entity Count
- 1
- Preferred Name
- Celosiaol
- Name En
- Pubchem Id
- 65790
- Smiles Canonical
- COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2
- Molecular Formula
- C14H19NO4S
- Molecular Weight
- 297.3760
- Inchikey
- MVOUIYUWRXPNKD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H19NO4S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3
- Isomeric Smiles
- COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2
- Cas Id
- Ob Score
- Mol Logp
- 1.7201
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Celosiaol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Celosiaol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Celosiaol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Celosiaol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
celosiaol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
35619-65-9
Role
alias
Source
HERB_v2
Preferred
No
Name
35619-65-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(3,4,5-Trimethoxythiobenzoyl)morpholine
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(3,4,5-Trimethoxythiobenzoyl)morpholine
Role
alias
Source
itcmdb_public
Preferred
No
Name
ISF 2001
Role
alias
Source
HERB_v2
Preferred
No
Name
ISF 2001
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sulmetozine
Role
alias
Source
HERB_v2
Preferred
No
Name
Sulmetozine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tresanil
Role
alias
Source
HERB_v2
Preferred
No
Name
Tresanil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Trithiozine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Trithiozine
Role
alias
Source
HERB_v2
Preferred
No
Name
Tritiozina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tritiozina
Role
alias
Source
HERB_v2
Preferred
No
Name
Tritiozine
Role
alias
Source
HERB_v2
Preferred
No
Name
Tritiozine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tritiozine [INN]
Role
alias
Source
HERB_v2
Preferred
No
Name
Tritiozine [INN]
Role
alias
Source
itcmdb_public
Preferred
No
Name
morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
Role
alias
Source
HERB_v2
Preferred
No
Name
morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
35619-65-94-(3,4,5-Trimethoxythiobenzoyl)morpholineISF 2001SulmetozineTresanilTrithiozineTritiozinaTritiozineTritiozine [INN]morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020062
Npass
NPC110337
Tcmid
23681
Sym Map
SMIT22864
Tcm Id
5826
Pub Chem
65790
Tcmbank
TCMBANKIN010873
Itcmdb Generated
ITX-INGREDIENT-B33FA71C6FFC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H19NO4S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3
Mol Wt
297.376
Smiles
COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2
Mol Log P
1.7201
Version
v2
In Ch Ikey
MVOUIYUWRXPNKD-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.788
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2
Herb Alias Names
TritiozineTrithiozine35619-65-9TresanilSulmetozineTritiozine [INN]Tritiozina4-(3,4,5-Trimethoxythiobenzoyl)morpholineISF 2001morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
Molecular Weight
0
Molecular Formula
C14H19NO4S
Molecular Formula
C14H19NO4S
Num Rotatable Bonds
4