IngredientID 15104

Conimine

C22H36N2

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Herb: 5Ingredient: 1Links: 5

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 15104
Core Entity Id: 19953
Source Entity Count: 1
Preferred Name: Conimine
Name En
Pubchem Id: 101686
Smiles Canonical: CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)CN1
Molecular Formula: C22H36N2
Molecular Weight: 328.5440
Inchikey: SHCHXCXYUPHKHW-QLPKIABKSA-N
Inchi: InChI=1S/C22H36N2/c1-14-18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24-14/h4,14,16-20,23-24H,5-13H2,1-3H3/t14-,16-,17+,18+,19-,20-,21-,22-/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)NC)C)CN1
Cas Id
Ob Score
Mol Logp: 4.1252
Num H Donors: 2
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

Conimine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Conimine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Conimine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Conimine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

conimine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

23-Norcon-5-enin-3-amine, N-methyl-, (3beta)-

Role

alias

Source

itcmdb_public

Preferred

Name

23-Norcon-5-enin-3-amine, N-methyl-, (3beta)-

Role

alias

Source

HERB_v2

Preferred

Name

468-41-7

Role

alias

Source

itcmdb_public

Preferred

Name

468-41-7

Role

alias

Source

HERB_v2

Preferred

Name

Conimin

Role

alias

Source

itcmdb_public

Preferred

Name

Conimin

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID40963665

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID40963665

Role

alias

Source

HERB_v2

Preferred

Name

N,3,11a-Trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine

Role

alias

Source

itcmdb_public

Preferred

Name

N,3,11a-Trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine

Role

alias

Source

HERB_v2

Preferred

Name

N-Methyl-23-norcon-5-enin-3-amine (3beta)-

Role

alias

Source

HERB_v2

Preferred

Name

N-Methyl-23-norcon-5-enin-3-amine (3beta)-

Role

alias

Source

itcmdb_public

Preferred

Name

Norcon-5-enine, 3beta-(methylamino)-

Role

alias

Source

HERB_v2

Preferred

Name

Norcon-5-enine, 3beta-(methylamino)-

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

23-Norcon-5-enin-3-amine, N-methyl-, (3beta)-468-41-7ConiminDTXSID40963665N,3,11a-Trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amineN-Methyl-23-norcon-5-enin-3-amine (3beta)-Norcon-5-enine, 3beta-(methylamino)-

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN021370

Tcmid

3989

Sym Map

SMIT14745

Pub Chem

101686551152

Tcmbank

TCMBANKIN008244

Etcm Ingredient

Conimine

Itcmdb Generated

ITX-INGREDIENT-592070D0547D

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C22H36N2/c1-14-18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24-14/h4,14,16-20,23-24H,5-13H2,1-3H3/t14-,16-,17+,18+,19-,20-,21-,22-/m0/s1

Mol Wt

328.544

Smiles

CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)CN1

Mol Log P

4.125200000000003

Version

v1,v2

In Ch Ikey

SHCHXCXYUPHKHW-QLPKIABKSA-N

Suppress

Num Hdonors

Drug Likeness

0.707

Num Hacceptors

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)NC)C)CN1

Canonical Smiles

CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)CN1

Herb Alias Names

Conimin468-41-7Norcon-5-enine, 3beta-(methylamino)-N-Methyl-23-norcon-5-enin-3-amine (3beta)-23-Norcon-5-enin-3-amine, N-methyl-, (3beta)-DTXSID40963665N,3,11a-Trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine

Molecular Weight

328.290

Molecular Weight

328.5 g/mol

Molecule Formula

C22H36N2

Molecular Formula

C22H36N2

Molecular Formula

C22H36N2

Molecular Formula

C22H36N2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.938

Quantitative Estimate Of Drug Likeness（Qed）

0.707