Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10374
- Core Entity Id
- 14692
- Source Entity Count
- 1
- Preferred Name
- Alpha-isolupanine
- Name En
- Pubchem Id
- 119201
- Smiles Canonical
- C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
- Molecular Formula
- C15H24N2O
- Molecular Weight
- 248.3700
- Inchikey
- JYIJIIVLEOETIQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2
- Isomeric Smiles
- C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
- Cas Id
- Ob Score
- Mol Logp
- 1.8717
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-isolupanine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alpha-isolupanine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-alpha-Isolupanine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-alpha-Isolupanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-Isolupanine
Role
alias
Source
HERB_v2
Preferred
No
Name
11-Isolupanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
486-87-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
486-87-3
Role
alias
Source
HERB_v2
Preferred
No
Name
7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-, [7S-(7.alpha.,7a.beta.,14.alpha.,14a.alpha.)]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-, [7S-(7.alpha.,7a.beta.,14.alpha.,14a.alpha.)]-
Role
alias
Source
HERB_v2
Preferred
No
Name
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2008918
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2008918
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50871681
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50871681
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16270966
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16270966
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spartein-2-one #
Role
alias
Source
HERB_v2
Preferred
No
Name
Spartein-2-one #
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-alpha-Isolupanine11-Isolupanine486-87-37,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-, [7S-(7.alpha.,7a.beta.,14.alpha.,14a.alpha.)]-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-oneCHEMBL2008918DTXSID50871681SCHEMBL16270966Spartein-2-one #
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015569
Tcmid
36285
Pub Chem
119201
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2
Mol Wt
248.3699999999999
Mol Log P
1.8717
In Ch Ikey
JYIJIIVLEOETIQ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.653
Num Hacceptors
2
Isomeric Smiles
C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
Canonical Smiles
C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
Herb Alias Names
(+)-alpha-Isolupanine486-87-37,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one11-IsolupanineSpartein-2-one #7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-, [7S-(7.alpha.,7a.beta.,14.alpha.,14a.alpha.)]-CHEMBL2008918SCHEMBL16270966DTXSID50871681
Molecular Formula
C15H24N2O
Num Rotatable Bonds
0