Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 371
- Core Entity Id
- 3550
- Source Entity Count
- 1
- Preferred Name
- 2,3,4-trimethyl-5-phenyloxazolidine
- Name En
- Pubchem Id
- 5322112
- Smiles Canonical
- CC1C(OC(N1C)C)C2=CC=CC=C2
- Molecular Formula
- C12H17NO
- Molecular Weight
- 191.2740
- Inchikey
- HHPJDYZRNRHFBT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H17NO/c1-9-12(14-10(2)13(9)3)11-7-5-4-6-8-11/h4-10,12H,1-3H3
- Isomeric Smiles
- CC1C(OC(N1C)C)C2=CC=CC=C2
- Cas Id
- Ob Score
- 57.0950
- Mol Logp
- 2.4242
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3,4-Trimethyl-5-Phenyloxazolidine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,3,4-Trimethyl-5-phenyloxazolidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,3,4-Trimethyl-5-phenyloxazolidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3,4-trimethyl-5-phenyloxazolidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,3,4-trimethyl-5-phenyloxazolidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3,4-trimethyl-5-phenyl-1,3-oxazolidine
Role
alias
Source
TCMBank
Preferred
No
Name
2,3,4-trimethyl-5-phenyl-oxazolidine
Role
alias
Source
TCMBank
Preferred
No
Name
67061-79-4
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NT18F
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3,4-trimethyl-5-phenyl-1,3-oxazolidine2,3,4-trimethyl-5-phenyl-oxazolidine67061-79-4AC1NT18F
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003897
Npass
NPC176790
Tcmid
21957
Tcmsp
MOL010742
Sym Map
SMIT00982
Pub Chem
5322112
Tcmbank
TCMBANKIN027876
Etcm Ingredient
2,3,4-Trimethyl-5-phenyloxazolidine
Itcmdb Generated
ITX-INGREDIENT-598D46EB542F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H17NO/c1-9-12(14-10(2)13(9)3)11-7-5-4-6-8-11/h4-10,12H,1-3H3
Mol Wt
191.274
Smiles
CC1C(OC(N1C)C)C2=CC=CC=C2
Mol Log P
2.424200000000001
Version
v1,v2
In Ch Ikey
HHPJDYZRNRHFBT-UHFFFAOYSA-N
Ob Score
57.09557.0952527757.095253
Suppress
0
Num Hdonors
0
Drug Likeness
0.676
Num Hacceptors
2
Isomeric Smiles
CC1C(OC(N1C)C)C2=CC=CC=C2
Molecule Weight
191.3
Canonical Smiles
CC1C(OC(N1C)C)C2=CC=CC=C2
Molecular Weight
191.130
Molecular Weight
191.27 g/mol
Molecule Formula
C12H17NO
Molecular Formula
C12H17NO
Molecular Formula
C12H17NO
Molecular Formula
C12H17NO
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.177
Quantitative Estimate Of Drug Likeness（Qed）
0.676