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
- 23966
- Core Entity Id
- 29823
- Source Entity Count
- 1
- Preferred Name
- Kurchiline
- Name En
- Pubchem Id
- 5318886
- Smiles Canonical
- CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CC(C(C4)N(C)C)O)C)C
- Molecular Formula
- C23H37NO2
- Molecular Weight
- 359.5540
- Inchikey
- ARNLHXDQNOMBKB-DLTIEYRGSA-N
- Inchi
- InChI=1S/C23H37NO2/c1-14(25)17-8-9-18-16-7-6-15-12-20(24(4)5)21(26)13-23(15,3)19(16)10-11-22(17,18)2/h6,16-21,26H,7-13H2,1-5H3/t16?,17?,18?,19?,20?,21?,22-,23+/m1/s1
- Isomeric Smiles
- CC(=O)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC(C(C4)N(C)C)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0554
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kurchiline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Kurchiline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kurchiline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
kurchiline
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032375
Npass
NPC233489
Tcmid
12344
Pub Chem
5318886
Tcmbank
TCMBANKIN018196
Etcm Ingredient
Kurchiline
Itcmdb Generated
ITX-INGREDIENT-3A8F2118BF04
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H37NO2/c1-14(25)17-8-9-18-16-7-6-15-12-20(24(4)5)21(26)13-23(15,3)19(16)10-11-22(17,18)2/h6,16-21,26H,7-13H2,1-5H3/t16?,17?,18?,19?,20?,21?,22-,23+/m1/s1
Mol Wt
359.5540000000001
Smiles
CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CC(C(C4)N(C)C)O)C)C
Mol Log P
4.055400000000003
In Ch Ikey
ARNLHXDQNOMBKB-DLTIEYRGSA-N
Num Hdonors
1
Drug Likeness
0.756
Num Hacceptors
3
Isomeric Smiles
CC(=O)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC(C(C4)N(C)C)O)C)C
Canonical Smiles
CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CC(C(C4)N(C)C)O)C)C
Molecular Weight
359.280
Molecular Formula
C23H37NO2
Molecular Formula
C23H37NO2
Molecular Formula
C23H37NO2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.678
Quantitative Estimate Of Drug Likeness（Qed）
0.756