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
- 36238
- Core Entity Id
- 43471
- Source Entity Count
- 1
- Preferred Name
- Uvaribonin
- Name En
- Pubchem Id
- 102273625
- Smiles Canonical
- CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCCCCCC(CCC2=CC(OC2=O)C)O)O)OC(=O)C)O
- Molecular Formula
- C39H70O8
- Molecular Weight
- 666.9810
- Inchikey
- BIODFBOSASJNMO-QLRBQNDPSA-N
- Inchi
- InChI=1S/C39H70O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,33-38,41-43H,4-27,29H2,1-3H3/t30?,33?,34-,35-,36-,37-,38-/m1/s1
- Isomeric Smiles
- CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](C[C@@H](CCCCCCCCCC(CCC2=CC(OC2=O)C)O)O)OC(=O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 8.4123
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 29
- Drug Likeness
- 0.0540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uvaribonin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Uvaribonin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Uvaribonin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Uvaribonin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
光叶紫玉盘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG YE ZI YU PAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Glabrousleaf Uvaria
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
((1R,3R)-3,13-dihydroxy-1-((2R,5R)-5-((1R)-1-hydroxytridecyl)oxolan-2-yl)-15-(2-methyl-5-oxo-2H-furan-4-yl)pentadecyl) acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL274745
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL274745
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1R,3R)-3,13-dihydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-(2-methyl-5-oxo-2H-furan-4-yl)pentadecyl] acetate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
光叶紫玉盘GUANG YE ZI YU PANGlabrousleaf Uvaria((1R,3R)-3,13-dihydroxy-1-((2R,5R)-5-((1R)-1-hydroxytridecyl)oxolan-2-yl)-15-(2-methyl-5-oxo-2H-furan-4-yl)pentadecyl) acetateCHEMBL274745[(1R,3R)-3,13-dihydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-(2-methyl-5-oxo-2H-furan-4-yl)pentadecyl] acetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047661
Tcmid
22276
Pub Chem
10227362524761041
Tcmbank
TCMBANKIN046064
Etcm Ingredient
Uvaribonin
Itcmdb Generated
ITX-INGREDIENT-CAB14D75E7E5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C39H70O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,33-38,41-43H,4-27,29H2,1-3H3/t30?,33?,34-,35-,36-,37-,38-/m1/s1
Mol Wt
666.9810000000007
Mol Log P
8.412300000000004
In Ch Ikey
BIODFBOSASJNMO-QLRBQNDPSA-N
Tcm Name
光叶紫玉盘
Tcm Name2
GUANG YE ZI YU PAN
Mol2 Path
/TCM_database/2007_3d_all/22292.mol2
Reference
355
Num Hdonors
3
Tcm Name En
Glabrousleaf Uvaria
Drug Likeness
0.054
Num Hacceptors
8
Isomeric Smiles
CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](C[C@@H](CCCCCCCCCC(CCC2=CC(OC2=O)C)O)O)OC(=O)C)O
Canonical Smiles
CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCCCCCC(CCC2=CC(OC2=O)C)O)O)OC(=O)C)O
Herb Alias Names
((1R,3R)-3,13-dihydroxy-1-((2R,5R)-5-((1R)-1-hydroxytridecyl)oxolan-2-yl)-15-(2-methyl-5-oxo-2H-furan-4-yl)pentadecyl) acetate[(1R,3R)-3,13-dihydroxy-1-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-15-(2-methyl-5-oxo-2H-furan-4-yl)pentadecyl] acetateCHEMBL274745
Molecular Weight
666.510
Molecular Weight
667 g/mol
Molecular Formula
C39H70O8
Molecular Formula
C39H70O8
Num Rotatable Bonds
29
Fda Maximum Daily Dose (Fdamdd)
0.801
Quantitative Estimate Of Drug Likeness（Qed）
0.049