Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23993
- Core Entity Id
- 29853
- Source Entity Count
- 1
- Preferred Name
- Kusnesoline
- Name En
- Pubchem Id
- 22524335
- Smiles Canonical
- CC12CC3C4C5C67CC(CC8(C6C(N5C8)CC4(C1)C7C(O3)O2)C)O
- Molecular Formula
- C20H27NO3
- Molecular Weight
- 329.4400
- Inchikey
- OYMGHIKGYDALDD-ILZPKQJXSA-N
- Inchi
- InChI=1S/C20H27NO3/c1-17-3-9(22)4-20-13(17)10-5-19-7-18(2)6-11(23-16(24-18)14(19)20)12(19)15(20)21(10)8-17/h9-16,22H,3-8H2,1-2H3/t9?,10?,11?,12?,13?,14?,15?,16?,17-,18?,19?,20?/m1/s1
- Isomeric Smiles
- C[C@]12CC(CC34C1C5CC67C3C8OC(C6C4N5C2)CC(C7)(O8)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7601
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kusnesoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Kusnesoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Kusnesoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kusnesoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
峨嵋翠雀花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
E MEI CUI QUE HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Emei Larkspur
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
峨嵋翠雀花E MEI CUI QUE HUAEmei Larkspur
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032404
Tcmid
12368
Pub Chem
22524335
Tcmbank
TCMBANKIN040690
Etcm Ingredient
Kusnesoline
Itcmdb Generated
ITX-INGREDIENT-62CDF42E5CBC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H27NO3/c1-17-3-9(22)4-20-13(17)10-5-19-7-18(2)6-11(23-16(24-18)14(19)20)12(19)15(20)21(10)8-17/h9-16,22H,3-8H2,1-2H3/t9?,10?,11?,12?,13?,14?,15?,16?,17-,18?,19?,20?/m1/s1
Mol Wt
329.4400000000001
Mol Log P
1.7601
In Ch Ikey
OYMGHIKGYDALDD-ILZPKQJXSA-N
Tcm Name
峨嵋翠雀花
Tcm Name2
E MEI CUI QUE HUA
Mol2 Path
/TCM_database/2007_3d_all/12372.mol2
Reference
2190
Num Hdonors
1
Tcm Name En
Emei Larkspur
Drug Likeness
0.735
Num Hacceptors
4
Isomeric Smiles
C[C@]12CC(CC34C1C5CC67C3C8OC(C6C4N5C2)CC(C7)(O8)C)O
Canonical Smiles
CC12CC3C4C5C67CC(CC8(C6C(N5C8)CC4(C1)C7C(O3)O2)C)O
Molecular Weight
329.200
Molecular Formula
C20H27NO3
Molecular Formula
C20H27NO3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.893
Quantitative Estimate Of Drug Likeness（Qed）
0.735