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
- 37059
- Core Entity Id
- 44395
- Source Entity Count
- 1
- Preferred Name
- Yuzurimine e
- Name En
- Pubchem Id
- 102074150
- Smiles Canonical
- CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(CCC1C62O)COC(=O)C)C(=O)OC
- Molecular Formula
- C25H35NO5
- Molecular Weight
- 429.5570
- Inchikey
- SSBBDAORPHDCOF-RQTOPLSVSA-N
- Inchi
- InChI=1S/C25H35NO5/c1-14-11-26-12-17-6-4-16-5-7-18-19(22(28)30-3)10-24(21(16)18)23(17,13-31-15(2)27)9-8-20(14)25(24,26)29/h14,17-20,29H,4-13H2,1-3H3/t14-,17+,18-,19-,20+,23-,24?,25-/m1/s1
- Isomeric Smiles
- C[C@@H]1CN2C[C@@H]3CCC4=C5[C@H](CC4)[C@@H](CC56[C@]3(CC[C@@H]1[C@@]62O)COC(=O)C)C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.8957
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Yuzurimine E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Yuzurimine e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Yuzurimine e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
牛耳枫子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIU ER FENG ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Calyx-shaped Daphniphyllum Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
牛耳枫子NIU ER FENG ZICalyx-shaped Daphniphyllum Fruit
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048708
Npass
NPC165458
Tcmid
22944
Pub Chem
102074150
Tcmbank
TCMBANKIN045303
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H35NO5/c1-14-11-26-12-17-6-4-16-5-7-18-19(22(28)30-3)10-24(21(16)18)23(17,13-31-15(2)27)9-8-20(14)25(24,26)29/h14,17-20,29H,4-13H2,1-3H3/t14-,17+,18-,19-,20+,23-,24?,25-/m1/s1
Mol Wt
429.5570000000002
Mol Log P
2.895700000000001
In Ch Ikey
SSBBDAORPHDCOF-RQTOPLSVSA-N
Tcm Name
牛耳枫子
Tcm Name2
NIU ER FENG ZI
Mol2 Path
/TCM_database/2007_3d_all/22960.mol2
Reference
4754
Num Hdonors
1
Tcm Name En
Calyx-shaped Daphniphyllum Fruit
Drug Likeness
0.549
Num Hacceptors
6
Isomeric Smiles
C[C@@H]1CN2C[C@@H]3CCC4=C5[C@H](CC4)[C@@H](CC56[C@]3(CC[C@@H]1[C@@]62O)COC(=O)C)C(=O)OC
Canonical Smiles
CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(CCC1C62O)COC(=O)C)C(=O)OC
Molecular Weight
429.5 g/mol
Molecular Formula
C25H35NO5
Num Rotatable Bonds
3