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
- 32629
- Core Entity Id
- 39458
- Source Entity Count
- 1
- Preferred Name
- Sarmentamide b
- Name En
- Pubchem Id
- 11638279
- Smiles Canonical
- CC(=O)OC1CN(CC1OC(=O)C)C(=O)C=CC2=CC=CC=C2
- Molecular Formula
- C17H19NO5
- Molecular Weight
- 317.3410
- Inchikey
- BLUFKOASZPTGNZ-FHQWLQQXSA-N
- Inchi
- InChI=1S/C17H19NO5/c1-12(19)22-15-10-18(11-16(15)23-13(2)20)17(21)9-8-14-6-4-3-5-7-14/h3-9,15-16H,10-11H2,1-2H3/b9-8+/t15-,16-/m0/s1
- Isomeric Smiles
- CC(=O)O[C@H]1CN(C[C@@H]1OC(=O)C)C(=O)/C=C/C2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 1.4054
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sarmentamide B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sarmentamide b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sarmentamide b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
假蒟子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIA JU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sarmentose Pepper Spike
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
假蒟子JIA JU ZISarmentose Pepper Spike
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043165
Npass
NPC93641
Tcmid
19354
Pub Chem
11638279
Tcmbank
TCMBANKIN048841
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H19NO5/c1-12(19)22-15-10-18(11-16(15)23-13(2)20)17(21)9-8-14-6-4-3-5-7-14/h3-9,15-16H,10-11H2,1-2H3/b9-8+/t15-,16-/m0/s1
Mol Wt
317.341
Mol Log P
1.4054
In Ch Ikey
BLUFKOASZPTGNZ-FHQWLQQXSA-N
Tcm Name
假蒟子
Tcm Name2
JIA JU ZI
Mol2 Path
/TCM_database/2007_3d_all/19369.mol2
Reference
973
Num Hdonors
0
Tcm Name En
Sarmentose Pepper Spike
Drug Likeness
0.62
Num Hacceptors
5
Isomeric Smiles
CC(=O)O[C@H]1CN(C[C@@H]1OC(=O)C)C(=O)/C=C/C2=CC=CC=C2
Canonical Smiles
CC(=O)OC1CN(CC1OC(=O)C)C(=O)C=CC2=CC=CC=C2
Molecular Formula
C17H19NO5
Num Rotatable Bonds
4