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
- 36243
- Core Entity Id
- 43477
- Source Entity Count
- 1
- Preferred Name
- Uvaribonone
- Name En
- Pubchem Id
- 10462055
- Smiles Canonical
- CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCCCCCC(=O)CCC2=CC(OC2=O)C)O)OC(=O)C)O
- Molecular Formula
- C39H68O8
- Molecular Weight
- 664.9650
- Inchikey
- BDOAVPGXBNUKRA-UVKIPMPFSA-N
- Inchi
- InChI=1S/C39H68O8/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/h28,30,34-38,42-43H,4-27,29H2,1-3H3/t30-,34+,35+,36+,37+,38+/m0/s1
- Isomeric Smiles
- CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](C[C@@H](CCCCCCCCCC(=O)CCC2=C[C@@H](OC2=O)C)O)OC(=O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 8.6205
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 29
- Drug Likeness
- 0.0600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uvaribonone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Uvaribonone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Uvaribonone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Uvaribonone
Role
preferred
Source
itcmdb_public
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
Aliases
Additional names normalized into the restored final schema.
光叶紫玉盘GUANG YE ZI YU PANGlabrousleaf Uvaria
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047667
Npass
NPC265616
Tcmid
22281
Pub Chem
10462055
Tcmbank
TCMBANKIN043573
Etcm Ingredient
Uvaribonone
Itcmdb Generated
ITX-INGREDIENT-E6BFBB53DCCE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C39H68O8/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/h28,30,34-38,42-43H,4-27,29H2,1-3H3/t30-,34+,35+,36+,37+,38+/m0/s1
Mol Wt
664.9650000000007
Mol Log P
8.620500000000003
In Ch Ikey
BDOAVPGXBNUKRA-UVKIPMPFSA-N
Tcm Name
光叶紫玉盘
Tcm Name2
GUANG YE ZI YU PAN
Mol2 Path
/TCM_database/2007_3d_all/22297.mol2
Reference
355
Num Hdonors
2
Tcm Name En
Glabrousleaf Uvaria
Drug Likeness
0.06
Num Hacceptors
8
Isomeric Smiles
CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](C[C@@H](CCCCCCCCCC(=O)CCC2=C[C@@H](OC2=O)C)O)OC(=O)C)O
Canonical Smiles
CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCCCCCC(=O)CCC2=CC(OC2=O)C)O)OC(=O)C)O
Molecular Weight
664.490
Molecular Formula
C39H68O8
Molecular Formula
C39H68O8
Num Rotatable Bonds
29
Fda Maximum Daily Dose (Fdamdd)
0.749
Quantitative Estimate Of Drug Likeness（Qed）
0.057