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
- 21703
- Core Entity Id
- 27309
- Source Entity Count
- 1
- Preferred Name
- Hupehenizine
- Name En
- Pubchem Id
- 14240940
- Smiles Canonical
- CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)C
- Molecular Formula
- C27H43NO2
- Molecular Weight
- 413.6400
- Inchikey
- MWBJDDYEYGDWCZ-ATGPSCQOSA-N
- Inchi
- InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-25,29H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,27+/m0/s1
- Isomeric Smiles
- Cas Id
- 103805-68-1
- Ob Score
- Mol Logp
- 5.3000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hupehenizine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Hupehenizine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hupehenizine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hupehenizine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hupehenizine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hupehenizine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
湖北贝母
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HU BEI BEI MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hupeh Fritillary
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
湖北贝母HU BEI BEI MUHupeh Fritillary
Cross References
Trusted external identifiers retained for this final record.
Cas
103805-68-1
Herb
HBIN029627
Tcmid
9684
Sym Map
SMIT24460
Tcm Id
3664
Tcmbank
TCMBANKIN044572
Etcm Ingredient
Hupehenizine
Itcmdb Generated
ITX-INGREDIENT-3D5BBE7DF8EEITX-INGREDIENT-FD6C77C2967E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
103805-68-1
Version
v2
Suppress
0
Tcm Name
湖北贝母
Tcm Name2
HU BEI BEI MU
Mol2 Path
/TCM_database/2007_3d_all/09685.mol2
Reference
660
Tcm Name En
Hupeh Fritillary
Molecular Weight
413.330
Molecular Weight
413.64
Molecular Formula
C27H43NO2
Molecular Formula
C27H43NO2
Fda Maximum Daily Dose (Fdamdd)
0.321
Quantitative Estimate Of Drug Likeness（Qed）
0.622