Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16610
- Core Entity Id
- 21632
- Source Entity Count
- 1
- Preferred Name
- Deltamine
- Name En
- Pubchem Id
- 4723
- Smiles Canonical
- C1=CC=C(C=C1)C2C(=O)N=C(O2)N
- Molecular Formula
- C9H8N2O2
- Molecular Weight
- 176.1750
- Inchikey
- NRNCYVBFPDDJNE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)
- Isomeric Smiles
- C1=CC=C(C=C1)C2C(=O)N=C(O2)N
- Cas Id
- 2152-34-3
- Ob Score
- 9.6180
- Mol Logp
- 0.5992
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Deltamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Deltamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Deltamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Deltamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Deltamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2152-34-3
Role
alias
Source
HERB_v2
Preferred
No
Name
2152-34-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Azoksodon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Azoksodon
Role
alias
Source
HERB_v2
Preferred
No
Name
Azoxodon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Azoxodon
Role
alias
Source
HERB_v2
Preferred
No
Name
Cylert
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cylert
Role
alias
Source
HERB_v2
Preferred
No
Name
Dantromin
Role
alias
Source
HERB_v2
Preferred
No
Name
Dantromin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fenoxazol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fenoxazol
Role
alias
Source
HERB_v2
Preferred
No
Name
Pemolin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pemolin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenoxazole
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenoxazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenylisohydantoin
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenylisohydantoin
Role
alias
Source
itcmdb_public
Preferred
No
Name
deltamine
Role
alias
Source
TCMBank
Preferred
No
Name
pemoline
Role
alias
Source
HERB_v2
Preferred
No
Name
pemoline
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2152-34-3AzoksodonAzoxodonCylertDantrominFenoxazolPemolinPhenoxazolePhenylisohydantoinpemoline
Cross References
Trusted external identifiers retained for this final record.
Cas
2152-34-3
Herb
HBIN023208
Tcmid
5036
Tcmsp
MOL002391
Sym Map
SMIT04643SMIT14974
Pub Chem
4723
Tcmbank
TCMBANKIN035736
Etcm Ingredient
Deltamine
Itcmdb Generated
ITX-INGREDIENT-676D73A69A29
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)
Mol Wt
176.175
Cas Id
2152-34-3
Smiles
C1=CC=C(C=C1)C2C(=O)N=C(O2)N
Mol Log P
0.5992000000000001
Version
v1,v2
In Ch Ikey
NRNCYVBFPDDJNE-UHFFFAOYSA-N
Ob Score
9.6189.6183379.618337233
Suppress
1
Num Hdonors
1
Drug Likeness
0.681
Num Hacceptors
3
Isomeric Smiles
C1=CC=C(C=C1)C2C(=O)N=C(O2)N
Molecule Weight
465.65
Canonical Smiles
C1=CC=C(C=C1)C2C(=O)N=C(O2)N
Herb Alias Names
pemolinePhenoxazolePhenylisohydantoinAzoksodonFenoxazolAzoxodonDantromin2152-34-3CylertPemolin
Molecular Weight
465.270
Molecular Weight
176.17
Molecule Formula
C25H39NO7
Molecular Formula
C25H39NO7
Molecular Formula
C9H8N2O2
Molecular Formula
C9H8N2O2
Num Rotatable Bonds
1
Link Ingredient Id
4643.0
Fda Maximum Daily Dose (Fdamdd)
0.899
Quantitative Estimate Of Drug Likeness（Qed）
0.630