Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23965
- Core Entity Id
- 29822
- Source Entity Count
- 1
- Preferred Name
- Kurchessine
- Name En
- Pubchem Id
- 442979
- Smiles Canonical
- CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N(C)C)C)C)N(C)C
- Molecular Formula
- C25H44N2
- Molecular Weight
- 372.6410
- Inchikey
- YTNIUPZRMQLHNV-XSIUSZODSA-N
- Inchi
- InChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1
- Isomeric Smiles
- C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N(C)C)C)C)N(C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.4457
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kurchessine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Kurchessine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Kurchessine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
kurchessine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
618227L15H
Role
alias
Source
itcmdb_public
Preferred
No
Name
618227L15H
Role
alias
Source
HERB_v2
Preferred
No
Name
6869-45-0
Role
alias
Source
HERB_v2
Preferred
No
Name
6869-45-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6145
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6145
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL344384
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL344384
Role
alias
Source
HERB_v2
Preferred
No
Name
Irehdiamine I
Role
alias
Source
HERB_v2
Preferred
No
Name
Irehdiamine I
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kurchessin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kurchessin
Role
alias
Source
HERB_v2
Preferred
No
Name
Kurchessine [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kurchessine [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
Sarcodinine
Role
alias
Source
HERB_v2
Preferred
No
Name
Sarcodinine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-618227L15H
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-618227L15H
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
618227L15H6869-45-0CHEBI:6145CHEMBL344384Irehdiamine IKurchessinKurchessine [MI]SarcodinineUNII-618227L15H
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032374
Npass
NPC21773
Tcmid
12343
Pub Chem
442979
Tcmbank
TCMBANKIN011248
Etcm Ingredient
Kurchessine
Itcmdb Generated
ITX-INGREDIENT-AF9029B3AE1E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1
Mol Wt
372.6410000000001
Smiles
CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N(C)C)C)C)N(C)C
Mol Log P
5.445700000000007
In Ch Ikey
YTNIUPZRMQLHNV-XSIUSZODSA-N
Num Hdonors
0
Drug Likeness
0.608
Num Hacceptors
2
Isomeric Smiles
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N(C)C)C)C)N(C)C
Canonical Smiles
CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N(C)C)C)C)N(C)C
Herb Alias Names
Irehdiamine ISarcodinineKurchessine [MI]6869-45-0KurchessinUNII-618227L15H618227L15HCHEBI:6145CHEMBL344384
Molecular Weight
372.350
Molecular Weight
372.6 g/mol
Molecular Formula
C25H44N2
Molecular Formula
C25H44N2
Molecular Formula
C25H44N2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.883
Quantitative Estimate Of Drug Likeness（Qed）
0.608