Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10088
- Core Entity Id
- 14379
- Source Entity Count
- 1
- Preferred Name
- Alkaloid c
- Name En
- Pubchem Id
- 44358210
- Smiles Canonical
- CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC)C)C)N(C)C
- Molecular Formula
- C24H41NO
- Molecular Weight
- 359.5980
- Inchikey
- ZTNBSFMIFOLVCM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3
- Isomeric Smiles
- CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC)C)C)N(C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.5305
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alkaloid C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Alkaloid c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alkaloid c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
野山花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YE SHAN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Willowleaf Sarcococca
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(20S)-3beta-methoxy-N,N-dimethylpregn-5-en-20-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(20S)-3beta-methoxy-N,N-dimethylpregn-5-en-20-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
128255-08-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
128255-08-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Alkaloid-C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alkaloid-C
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:228289
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:228289
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pachyaximine A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pachyaximine A
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
野山花YE SHAN HUAWillowleaf Sarcococca(20S)-3beta-methoxy-N,N-dimethylpregn-5-en-20-amine128255-08-3Alkaloid-CCHEBI:228289Pachyaximine A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015169
Npass
NPC75810
Tcmid
904
Pub Chem
4435821075015155
Tcmbank
TCMBANKIN049521
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3
Mol Wt
359.5980000000001
Mol Log P
5.530500000000006
In Ch Ikey
ZTNBSFMIFOLVCM-UHFFFAOYSA-N
Tcm Name
野山花
Tcm Name2
YE SHAN HUA
Mol2 Path
/TCM_database/2007_3d_all/00904.mol2
Reference
5054
Num Hdonors
0
Tcm Name En
Willowleaf Sarcococca
Drug Likeness
0.614
Num Hacceptors
2
Isomeric Smiles
CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC)C)C)N(C)C
Canonical Smiles
CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC)C)C)N(C)C
Herb Alias Names
Pachyaximine A128255-08-3Alkaloid-C(-)-Pachyaximine Apachyaximine-ACHEBI:228289(20S)-3beta-methoxy-N,N-dimethylpregn-5-en-20-amine
Molecular Weight
359.6 g/mol
Molecular Formula
C24H41NO
Num Rotatable Bonds
3