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: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15083
- Core Entity Id
- 19930
- Source Entity Count
- 1
- Preferred Name
- Conessimine
- Name En
- Pubchem Id
- 12303831
- Smiles Canonical
- CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N(C)C)C)CN1
- Molecular Formula
- C23H38N2
- Molecular Weight
- 342.5710
- Inchikey
- PHYSDIZFXRPRAH-ALCLCTQTSA-N
- Inchi
- InChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(25(3)4)9-11-22(16,2)20(18)10-12-23(19,21)14-24-15/h5,15,17-21,24H,6-14H2,1-4H3/t15-,17-,18+,19+,20-,21-,22-,23-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1
- 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
Conessimine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Conessimine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Conessimine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
conessimine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3I(2))-N,N-Dimethyl-23-norcon-5-enin-3-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
(3I(2))-N,N-Dimethyl-23-norcon-5-enin-3-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
631-05-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
631-05-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2262636
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2262636
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID601265742
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601265742
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3I(2))-N,N-Dimethyl-23-norcon-5-enin-3-amine631-05-0CHEMBL2262636DTXSID601265742
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021341
Npass
NPC152039
Tcmid
3967
Pub Chem
12303831
Tcmbank
TCMBANKIN023565
Etcm Ingredient
Conessimine
Itcmdb Generated
ITX-INGREDIENT-C213F6EEC094
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(25(3)4)9-11-22(16,2)20(18)10-12-23(19,21)14-24-15/h5,15,17-21,24H,6-14H2,1-4H3/t15-,17-,18+,19+,20-,21-,22-,23-/m0/s1
Mol Wt
342.5710000000001
Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N(C)C)C)CN1
Mol Log P
4.467400000000004
In Ch Ikey
PHYSDIZFXRPRAH-ALCLCTQTSA-N
Num Hdonors
1
Drug Likeness
0.707
Num Hacceptors
2
Isomeric Smiles
C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1
Canonical Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N(C)C)C)CN1
Herb Alias Names
CHEMBL2262636DTXSID601265742631-05-0(3I(2))-N,N-Dimethyl-23-norcon-5-enin-3-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)
0.914
Quantitative Estimate Of Drug Likeness（Qed）
0.707