Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22495
- Core Entity Id
- 28188
- Source Entity Count
- 1
- Preferred Name
- Isoconessimine
- Name En
- Pubchem Id
- 11772257
- Smiles Canonical
- CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)CN1C
- Molecular Formula
- C23H38N2
- Molecular Weight
- 342.5710
- Inchikey
- UBWOPONWVXRTKE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(24-3)9-11-22(16,2)20(18)10-12-23(19,21)14-25(15)4/h5,15,17-21,24H,6-14H2,1-4H3
- Isomeric Smiles
- CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)CN1C
- Cas Id
- Ob Score
- Mol Logp
- 4.4674
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isoconessimine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Isoconessimine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isoconessimine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
isoconessimine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Con-5-enin-3-amine, N-methyl-, (3.beta.)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Con-5-enin-3-amine, N-methyl-, (3.beta.)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Con-5-enine, 3.beta.-(methylamino)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Con-5-enine, 3.beta.-(methylamino)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Kurchine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kurchine
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methylcon-5-enin-3-amine #
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methylcon-5-enin-3-amine #
Role
alias
Source
HERB_v2
Preferred
No
Name
Norconessine
Role
alias
Source
HERB_v2
Preferred
No
Name
Norconessine
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2477158
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2477158
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Con-5-enin-3-amine, N-methyl-, (3.beta.)-Con-5-enine, 3.beta.-(methylamino)-KurchineMethyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amineN-Methylcon-5-enin-3-amine #NorconessineSCHEMBL2477158
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030598
Npass
NPC118329
Tcmid
11337
Pub Chem
11772257551434
Tcmbank
TCMBANKIN016137
Etcm Ingredient
Isoconessimine
Itcmdb Generated
ITX-INGREDIENT-7EC19B111345
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(24-3)9-11-22(16,2)20(18)10-12-23(19,21)14-25(15)4/h5,15,17-21,24H,6-14H2,1-4H3
Mol Wt
342.5710000000001
Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)CN1C
Mol Log P
4.467400000000004
In Ch Ikey
UBWOPONWVXRTKE-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.707
Num Hacceptors
2
Isomeric Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)CN1C
Canonical Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)CN1C
Herb Alias Names
NorconessineKurchineSCHEMBL2477158N-Methylcon-5-enin-3-amine #Con-5-enine, 3.beta.-(methylamino)-Con-5-enin-3-amine, N-methyl-, (3.beta.)-Methyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amineMethyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)amine
Molecular Weight
342.300
Molecular Weight
342.6 g/mol
Molecular Formula
C23H38N2
Molecular Formula
C23H38N2
Molecular Formula
C23H38N2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.934
Quantitative Estimate Of Drug Likeness（Qed）
0.707