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
- 15107
- Core Entity Id
- 19956
- Source Entity Count
- 1
- Preferred Name
- Conkurchine
- Name En
- Pubchem Id
- 5316048
- Smiles Canonical
- CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)C=N1
- Molecular Formula
- C21H32N2
- Molecular Weight
- 312.5010
- Inchikey
- ALQAUMHHCJMVID-GHGMZPNKSA-N
- Inchi
- InChI=1S/C21H32N2/c1-13-17-5-6-19-16-4-3-14-11-15(22)7-9-20(14,2)18(16)8-10-21(17,19)12-23-13/h3,12-13,15-19H,4-11,22H2,1-2H3/t13?,15-,16?,17?,18?,19?,20?,21?/m0/s1
- Isomeric Smiles
- CC1C2CCC3C2(CCC4C3CC=C5C4(CC[C@@H](C5)N)C)C=N1
- Cas Id
- Ob Score
- Mol Logp
- 4.3457
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Conkurchine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Conkurchine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Conkurchine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
conkurchine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021373
Npass
NPC208568
Tcmid
3991
Pub Chem
5316048
Tcmbank
TCMBANKIN020936
Etcm Ingredient
Conkurchine
Itcmdb Generated
ITX-INGREDIENT-2CE2118FB251
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H32N2/c1-13-17-5-6-19-16-4-3-14-11-15(22)7-9-20(14,2)18(16)8-10-21(17,19)12-23-13/h3,12-13,15-19H,4-11,22H2,1-2H3/t13?,15-,16?,17?,18?,19?,20?,21?/m0/s1
Mol Wt
312.501
Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)C=N1
Mol Log P
4.345700000000003
In Ch Ikey
ALQAUMHHCJMVID-GHGMZPNKSA-N
Num Hdonors
1
Drug Likeness
0.664
Num Hacceptors
2
Isomeric Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CC[C@@H](C5)N)C)C=N1
Canonical Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)C=N1
Molecular Weight
312.260
Molecular Formula
C21H32N2
Molecular Formula
C21H32N2
Molecular Formula
C21H32N2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.920
Quantitative Estimate Of Drug Likeness（Qed）
0.664