Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16401
- Core Entity Id
- 21400
- Source Entity Count
- 1
- Preferred Name
- Defusine
- Name En
- Pubchem Id
- 11708150
- Smiles Canonical
- C1C2CN3C(=O)C=CC=C3C2CN1
- Molecular Formula
- C10H12N2O
- Molecular Weight
- 176.2190
- Inchikey
- CXOGMMQKRNROKJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12N2O/c13-10-3-1-2-9-8-5-11-4-7(8)6-12(9)10/h1-3,7-8,11H,4-6H2
- Isomeric Smiles
- C1C2CN3C(=O)C=CC=C3C2CN1
- Cas Id
- Ob Score
- Mol Logp
- 0.1649
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Defusine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Defusine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
defusine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2,3,3a,4,9b-hexahydropyrrolo(3,4-a)indolizin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2,3,3a,4,9b-hexahydropyrrolo[3,4-a]indolizin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,3,3a,8,8a-Hexahydro-2,7a-diaza-cyclopenta[a]inden-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,3,3a,8,8a-Hexahydro-2,7a-diaza-cyclopenta[a]inden-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50375266
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50375266
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL404660
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL404660
Role
alias
Source
itcmdb_public
Preferred
No
Name
CXOGMMQKRNROKJ-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
CXOGMMQKRNROKJ-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
CYFUSINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
CYFUSINE
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4174629
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4174629
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,2,3,3a,4,9b-hexahydropyrrolo(3,4-a)indolizin-6-one1,2,3,3a,4,9b-hexahydropyrrolo[3,4-a]indolizin-6-one1,2,3,3a,8,8a-Hexahydro-2,7a-diaza-cyclopenta[a]inden-7-oneBDBM50375266CHEMBL404660CXOGMMQKRNROKJ-UHFFFAOYSA-NCYFUSINESCHEMBL4174629
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022955
Npass
NPC25513
Tcmid
38744
Pub Chem
11708150
Tcmbank
TCMBANKIN009736
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H12N2O/c13-10-3-1-2-9-8-5-11-4-7(8)6-12(9)10/h1-3,7-8,11H,4-6H2
Mol Wt
176.219
Smiles
C1C2CN3C(=O)C=CC=C3C2CN1
Mol Log P
0.1649000000000001
In Ch Ikey
CXOGMMQKRNROKJ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.611
Num Hacceptors
3
Isomeric Smiles
C1C2CN3C(=O)C=CC=C3C2CN1
Canonical Smiles
C1C2CN3C(=O)C=CC=C3C2CN1
Herb Alias Names
CYFUSINE1,2,3,3a,4,9b-hexahydropyrrolo(3,4-a)indolizin-6-one1,2,3,3a,4,9b-hexahydropyrrolo[3,4-a]indolizin-6-one(+/-)-cyfusineCHEMBL404660SCHEMBL4174629CXOGMMQKRNROKJ-UHFFFAOYSA-NBDBM503752661,2,3,3a,8,8a-Hexahydro-2,7a-diaza-cyclopenta[a]inden-7-one
Molecular Formula
C10H12N2O
Molecular Formula
C10H12N2O
Num Rotatable Bonds
0