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
- 36240
- Core Entity Id
- 43474
- Source Entity Count
- 1
- Preferred Name
- Uvaribonol e
- Name En
- Pubchem Id
- 5315148
- Smiles Canonical
- CC(=O)OC1C=CC(C(C1OC(=O)C)(COC(=O)C2=CC=CC=C2)O)OCCO
- Molecular Formula
- C20H24O9
- Molecular Weight
- 408.4030
- Inchikey
- NUDRMMUDHLPHOD-DLZDZTESSA-N
- Inchi
- InChI=1S/C20H24O9/c1-13(22)28-16-8-9-17(26-11-10-21)20(25,18(16)29-14(2)23)12-27-19(24)15-6-4-3-5-7-15/h3-9,16-18,21,25H,10-12H2,1-2H3/t16?,17-,18+,20-/m0/s1
- Isomeric Smiles
- CC(=O)O[C@@H]1C(C=C[C@@H]([C@]1(COC(=O)C2=CC=CC=C2)O)OCCO)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 0.3852
- Num H Donors
- 2
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uvaribonol E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Uvaribonol e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Uvaribonol e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
uvaribonol e
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047664
Npass
NPC22363
Tcmid
22278
Pub Chem
5315148
Tcmbank
TCMBANKIN025187
Etcm Ingredient
Uvaribonol E
Itcmdb Generated
ITX-INGREDIENT-1FD0F757CDF8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H24O9/c1-13(22)28-16-8-9-17(26-11-10-21)20(25,18(16)29-14(2)23)12-27-19(24)15-6-4-3-5-7-15/h3-9,16-18,21,25H,10-12H2,1-2H3/t16?,17-,18+,20-/m0/s1
Mol Wt
408.4030000000002
Smiles
CC(=O)OC1C=CC(C(C1OC(=O)C)(COC(=O)C2=CC=CC=C2)O)OCCO
Mol Log P
0.3851999999999999
In Ch Ikey
NUDRMMUDHLPHOD-DLZDZTESSA-N
Num Hdonors
2
Drug Likeness
0.356
Num Hacceptors
9
Isomeric Smiles
CC(=O)O[C@@H]1C(C=C[C@@H]([C@]1(COC(=O)C2=CC=CC=C2)O)OCCO)OC(=O)C
Canonical Smiles
CC(=O)OC1C=CC(C(C1OC(=O)C)(COC(=O)C2=CC=CC=C2)O)OCCO
Molecular Weight
408.140
Molecular Formula
C20H24O9
Molecular Formula
C20H24O9
Molecular Formula
C20H24O9
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness（Qed）
0.356