Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31441
- Core Entity Id
- 38135
- Source Entity Count
- 1
- Preferred Name
- Quinacrine
- Name En
- Pubchem Id
- 237
- Smiles Canonical
- CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
- Molecular Formula
- C23H30ClN3O
- Molecular Weight
- 399.9660
- Inchikey
- GPKJTRJOBQGKQK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
- Isomeric Smiles
- CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
- Cas Id
- Ob Score
- Mol Logp
- 5.9724
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.4490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quinacrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Quinacrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
quinacrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
83-89-6
Role
alias
Source
HERB_v2
Preferred
No
Name
83-89-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acrinamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Acrinamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acriquine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acriquine
Role
alias
Source
HERB_v2
Preferred
No
Name
Antimalarina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Antimalarina
Role
alias
Source
HERB_v2
Preferred
No
Name
Erion
Role
alias
Source
itcmdb_public
Preferred
No
Name
Erion
Role
alias
Source
HERB_v2
Preferred
No
Name
Haffkinine
Role
alias
Source
HERB_v2
Preferred
No
Name
Haffkinine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinactine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinactine
Role
alias
Source
HERB_v2
Preferred
No
Name
atabrine
Role
alias
Source
HERB_v2
Preferred
No
Name
atabrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
mepacrine
Role
alias
Source
HERB_v2
Preferred
No
Name
mepacrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
quinacrine
Role
alias
Source
HERB_v2
Preferred
No
Name
quinacrine
Role
alias
Source
TCMBank
Preferred
No
Name
quinacrine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
83-89-6AcrinamineAcriquineAntimalarinaErionHaffkinineQuinactineatabrinemepacrine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041740
Npass
NPC481841
Tcm Id
1352113522
Pub Chem
237
Tcmbank
TCMBANKIN032374
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
Mol Wt
399.9660000000002
Smiles
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
Mol Log P
5.972400000000006
In Ch Ikey
GPKJTRJOBQGKQK-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.449
Num Hacceptors
4
Isomeric Smiles
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
Canonical Smiles
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
Herb Alias Names
quinacrinemepacrineatabrine83-89-6AcrinamineAcriquineErionAntimalarinaHaffkinineQuinactine
Molecular Weight
400 g/mol
Molecular Formula
C23H30ClN3O
Molecular Formula
C23H30ClN3O
Num Rotatable Bonds
9