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
- 36241
- Core Entity Id
- 43475
- Source Entity Count
- 1
- Preferred Name
- Uvaribonol f
- Name En
- Pubchem Id
- 5315149
- Smiles Canonical
- CC(=O)OC1C=CC(C(C1OC(=O)C)(COC(=O)C2=CC=CC=C2)O)O
- Molecular Formula
- C18H20O8
- Molecular Weight
- 364.3500
- Inchikey
- MAIHNXWUKKJTIY-MMNRESRNSA-N
- Inchi
- InChI=1S/C18H20O8/c1-11(19)25-14-8-9-15(21)18(23,16(14)26-12(2)20)10-24-17(22)13-6-4-3-5-7-13/h3-9,14-16,21,23H,10H2,1-2H3/t14?,15-,16+,18-/m0/s1
- Isomeric Smiles
- CC(=O)O[C@@H]1C(C=C[C@@H]([C@]1(COC(=O)C2=CC=CC=C2)O)O)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 0.3686
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uvaribonol F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Uvaribonol f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Uvaribonol f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
uvaribonol f
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047665
Npass
NPC52122
Tcmid
22279
Pub Chem
5315149
Tcmbank
TCMBANKIN029230
Etcm Ingredient
Uvaribonol F
Itcmdb Generated
ITX-INGREDIENT-5A3034A474D4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H20O8/c1-11(19)25-14-8-9-15(21)18(23,16(14)26-12(2)20)10-24-17(22)13-6-4-3-5-7-13/h3-9,14-16,21,23H,10H2,1-2H3/t14?,15-,16+,18-/m0/s1
Mol Wt
364.3500000000001
Smiles
CC(=O)OC1C=CC(C(C1OC(=O)C)(COC(=O)C2=CC=CC=C2)O)O
Mol Log P
0.3685999999999999
In Ch Ikey
MAIHNXWUKKJTIY-MMNRESRNSA-N
Num Hdonors
2
Drug Likeness
0.437
Num Hacceptors
8
Isomeric Smiles
CC(=O)O[C@@H]1C(C=C[C@@H]([C@]1(COC(=O)C2=CC=CC=C2)O)O)OC(=O)C
Canonical Smiles
CC(=O)OC1C=CC(C(C1OC(=O)C)(COC(=O)C2=CC=CC=C2)O)O
Molecular Weight
364.120
Molecular Formula
C18H20O8
Molecular Formula
C18H20O8
Molecular Formula
C18H20O8
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness（Qed）
0.437