Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15872
- Core Entity Id
- 20810
- Source Entity Count
- 1
- Preferred Name
- Cyclolinopeptides h
- Name En
- Pubchem Id
- Smiles Canonical
- CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)NC1=O
- Molecular Formula
- C56H75N9O9S2
- Molecular Weight
- 1081.5100
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2079
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 256.8700
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclolinopeptides H
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cyclolinopeptides H
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cyclolinopeptides H
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cyclolinopeptides H
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cyclolinopeptides h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cyclolinopeptides h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
亚麻子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YA MA ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common FIax Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
亚麻子YA MA ZICommon FIax Seed
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022303
Tcmid
26064
Sym Map
SMIT19020
Tcmbank
TCMBANKIN037610
Etcm Ingredient
Cyclolinopeptides H
Itcmdb Generated
ITX-INGREDIENT-543E84C96E50
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
C([H])([H])([H])C([H])(C([H])([H])[H])C([H])([H])[C@]1([H])N([H])C(=O)[C@]([H])(C([H])([H])C([H])([H])S(=O)C([H])([H])[H])N([H])C(=O)[C@@]([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])([H])N([H]
)C(=O)[C@]([H])(C([H])([H])c2c3c(c([H])c([H])c([H])c3[H])n([H])c2[H])N([H])C(=O)[C@]([H])(C([H])([H])c4c([H])c([H])c([H])c([H])c4[H])N([H])C(=O)[C@]([H])(C([H])([H])c5c([H])c([H])c([H])c([H])c5[H])N([
H])C(=O)[C@]([H])(C([H])([H])C([H])([H])C6([H])[H])N6C(=O)[C@]([H])(C([H])([H])C([H])([H])SC([H])([H])[H])N([H])C1=O
Version
v1,v2
Suppress
0
Tcm Name
亚麻子
Tcm Name2
YA MA ZI
Mol2 Path
/TCM_database/2003_3d_all/1840.mol2
Reference
754
Tcm Name En
Common FIax Seed
Molecular Weight
1081.510
Molecular Formula
C56H75N9O9S2
Molecular Formula
C56H75N9O9S2
Fda Maximum Daily Dose (Fdamdd)
0.975
Quantitative Estimate Of Drug Likeness（Qed）
0.076