Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 10Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28028
- Core Entity Id
- 34340
- Source Entity Count
- 1
- Preferred Name
- Np-06
- Name En
- Pubchem Id
- 16130275
- Smiles Canonical
- CCC(C)C1C(=O)NC(C(=O)NC(CSSCC2C(=O)NC(C(=O)NC3CC(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)C)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)C(NC(=O)C(NC3=O)CC5=CC=CC=C5)C)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N2)CO)C(C)C)CC(C)C)CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)O)C(C)C
- Molecular Formula
- C16H15N2O6P
- Molecular Weight
- 362.2780
- Inchikey
- XWLUWCNOOVRFPX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)
- Isomeric Smiles
- C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 1.5488
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Np-06
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Np-06
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
np-06
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3-Phosphoryloxymethyl)phenytoin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3-Phosphoryloxymethyl)phenytoin
Role
alias
Source
HERB_v2
Preferred
No
Name
93390-81-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
93390-81-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Cerebyx
Role
alias
Source
HERB_v2
Preferred
No
Name
Cerebyx
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fosfenitoina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fosfenitoina
Role
alias
Source
HERB_v2
Preferred
No
Name
Fosfenitoina [INN-Spanish]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fosfenitoina [INN-Spanish]
Role
alias
Source
HERB_v2
Preferred
No
Name
Fosphenytoin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fosphenytoin
Role
alias
Source
HERB_v2
Preferred
No
Name
Fosphenytoine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fosphenytoine
Role
alias
Source
HERB_v2
Preferred
No
Name
Fosphenytoine [INN-French]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fosphenytoine [INN-French]
Role
alias
Source
HERB_v2
Preferred
No
Name
Fosphenytoinum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fosphenytoinum
Role
alias
Source
HERB_v2
Preferred
No
Name
Fosphenytoinum [INN-Latin]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fosphenytoinum [INN-Latin]
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3-Phosphoryloxymethyl)phenytoin93390-81-9CerebyxFosfenitoinaFosfenitoina [INN-Spanish]FosphenytoinFosphenytoineFosphenytoine [INN-French]FosphenytoinumFosphenytoinum [INN-Latin]
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037474HBIN043953
Tcm Id
1856718811
Pub Chem
1613027556339
Tcmbank
TCMBANKIN060653
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)
Mol Wt
362.278
Smiles
CCC(C)C1C(=O)NC(C(=O)NC(CSSCC2C(=O)NC(C(=O)NC3CC(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)C)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)C(NC(=O)C(NC3=O)CC5=CC=CC=C5)C)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N2)CO)C(C)C)CC(C)C)CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)O)C(C)C
Mol Log P
1.5488
In Ch Ikey
XWLUWCNOOVRFPX-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.549
Num Hacceptors
4
Isomeric Smiles
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3
Canonical Smiles
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3
Herb Alias Names
Fosphenytoin93390-81-9Cerebyx(3-Phosphoryloxymethyl)phenytoinFosfenitoina [INN-Spanish]Fosphenytoine [INN-French]Fosphenytoinum [INN-Latin]FosfenitoinaFosphenytoineFosphenytoinum
Molecular Weight
2163.5 g/mol
Molecular Formula
C97H131N23O26S4
Molecular Formula
C16H15N2O6P
Num Rotatable Bonds
5