Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15124
- Core Entity Id
- 19976
- Source Entity Count
- 1
- Preferred Name
- Conquinamine
- Name En
- Pubchem Id
- 137706191
- Smiles Canonical
- C=CC1CN2CCC1CC2C34C(CCO3)(C5=CC=CC=C5N4)O
- Molecular Formula
- C19H24N2O2
- Molecular Weight
- 312.4130
- Inchikey
- ALNKTVLUDWIWIH-JCTKKGROSA-N
- Inchi
- InChI=1S/C19H24N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h2-6,13-14,17,20,22H,1,7-12H2/t13-,14-,17+,18+,19-/m0/s1
- Isomeric Smiles
- C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@]34[C@@](CCO3)(C5=CC=CC=C5N4)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3127
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Conquinamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Conquinamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Conquinamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
conquinamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3aR,8aS)-8a-((1S,2R,4S,5R)-5-Ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-3ah-furo(2,3-b)indol-3a-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3aR,8aS)-8a-((1S,2R,4S,5R)-5-Ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-3ah-furo(2,3-b)indol-3a-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-EPIQUINAMINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-EPIQUINAMINE
Role
alias
Source
HERB_v2
Preferred
No
Name
38T72MD4BR
Role
alias
Source
itcmdb_public
Preferred
No
Name
38T72MD4BR
Role
alias
Source
HERB_v2
Preferred
No
Name
3Ah-furo(2,3-b)indol-3a-ol, 8a-((1S,2R,4S,5R)-5-ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-, (3aR,8aS)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3Ah-furo(2,3-b)indol-3a-ol, 8a-((1S,2R,4S,5R)-5-ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-, (3aR,8aS)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
464-86-8
Role
alias
Source
HERB_v2
Preferred
No
Name
464-86-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alkaloid E from cinchona ledgeriana
Role
alias
Source
HERB_v2
Preferred
No
Name
Alkaloid E from cinchona ledgeriana
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conquinamine [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
Conquinamine [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epiquinamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Epiquinamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-38T72MD4BR
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-38T72MD4BR
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3aR,8aS)-8a-((1S,2R,4S,5R)-5-Ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-3ah-furo(2,3-b)indol-3a-ol3-EPIQUINAMINE38T72MD4BR3Ah-furo(2,3-b)indol-3a-ol, 8a-((1S,2R,4S,5R)-5-ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-, (3aR,8aS)-464-86-8Alkaloid E from cinchona ledgerianaConquinamine [MI]EpiquinamineUNII-38T72MD4BR
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021389
Tcmid
4004
Pub Chem
13770619176319464
Tcmbank
TCMBANKIN025289
Etcm Ingredient
Conquinamine
Itcmdb Generated
ITX-INGREDIENT-A59DE422FC0A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H24N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h2-6,13-14,17,20,22H,1,7-12H2/t13-,14-,17+,18+,19-/m0/s1
Mol Wt
312.413
Smiles
C=CC1CN2CCC1CC2C34C(CCO3)(C5=CC=CC=C5N4)O
Mol Log P
2.3127
In Ch Ikey
ALNKTVLUDWIWIH-JCTKKGROSA-N
Num Hdonors
2
Drug Likeness
0.823
Num Hacceptors
4
Isomeric Smiles
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@]34[C@@](CCO3)(C5=CC=CC=C5N4)O
Canonical Smiles
C=CC1CN2CCC1CC2C34C(CCO3)(C5=CC=CC=C5N4)O
Herb Alias Names
Epiquinamine3-EPIQUINAMINEConquinamine [MI]Alkaloid E from cinchona ledgerianaUNII-38T72MD4BR38T72MD4BR464-86-8(3aR,8aS)-8a-((1S,2R,4S,5R)-5-Ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-3ah-furo(2,3-b)indol-3a-ol3Ah-furo(2,3-b)indol-3a-ol, 8a-((1S,2R,4S,5R)-5-ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-, (3aR,8aS)-
Molecular Weight
312.180
Molecular Weight
312.4 g/mol
Molecular Formula
C19H24N2O2
Molecular Formula
C19H24N2O2
Molecular Formula
C19H24N2O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.941
Quantitative Estimate Of Drug Likeness（Qed）
0.823