Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40518
- Core Entity Id
- 83529
- Source Entity Count
- 1
- Preferred Name
- OSW-1
- Name En
- Pubchem Id
- 9854230
- Smiles Canonical
- CC(C)CCC(=O)C(C)C1(C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C)O
- Molecular Formula
- C47H68O15
- Molecular Weight
- 872.4600
- Inchikey
- MPXTYZZFIJTPPA-MKQTXCTDSA-N
- Inchi
- InChI=1S/C47H68O15/c1-24(2)8-15-34(50)25(3)47(55)37(21-33-31-14-11-28-20-29(49)16-18-45(28,5)32(31)17-19-46(33,47)6)60-44-41(59-26(4)48)39(36(52)23-58-44)62-43-40(38(53)35(51)22-57-43)61-42(54)27-9-12-30(56-7)13-10-27/h9-13,24-25,29,31-33,35-41,43-44,49,51-53,55H,8,14-23H2,1-7H3/t25-,29+,31-,32+,33+,35-,36+,37+,38+,39+,40-,41-,43+,44+,45+,46+,47-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.3000
- Num H Donors
- 5
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- 217.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
OSW-1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
OSW-1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
伯利恒之星
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Ornithogalum saundersiae
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
伯利恒之星Ornithogalum saundersiae
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN001332
Etcm Ingredient
OSW-1
Itcmdb Generated
ITX-INGREDIENT-9E4CAACF0418ITX-INGREDIENT-E37F08CFB933
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
伯利恒之星
Tcm Name2
Ornithogalum saundersiae
Mol2 Path
/TCM_database/2007_3d_all/16265.mol2
Reference
2165
Molecular Weight
872.460
Molecular Formula
C47H68O15
Fda Maximum Daily Dose (Fdamdd)
0.807
Quantitative Estimate Of Drug Likeness（Qed）
0.140