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
- 36247
- Core Entity Id
- 43483
- Source Entity Count
- 1
- Preferred Name
- Uvarigrin
- Name En
- Pubchem Id
- 78384572
- Smiles Canonical
- CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCCCCCCCCC2=CC(OC2=O)C)O)O)O
- Molecular Formula
- C37H68O6
- Molecular Weight
- 608.9450
- Inchikey
- ADPAPZVYVYEBGS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C37H68O6/c1-3-4-5-6-7-8-13-16-19-22-25-33(39)35-26-27-36(43-35)34(40)29-32(38)24-21-18-15-12-10-9-11-14-17-20-23-31-28-30(2)42-37(31)41/h28,30,32-36,38-40H,3-27,29H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCCCCCCCCC2=CC(OC2=O)C)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 8.8707
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 28
- Drug Likeness
- 0.0610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uvarigrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Uvarigrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
uvarigrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
200563-11-7
Role
alias
Source
HERB_v2
Preferred
No
Name
200563-11-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[13,15-dihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[13,15-dihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS037514901
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS037514901
Role
alias
Source
HERB_v2
Preferred
No
Name
CID 78384572
Role
alias
Source
itcmdb_public
Preferred
No
Name
CID 78384572
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-78807
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-78807
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
200563-11-74-[13,15-dihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-oneAKOS037514901CID 78384572DA-78807
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047671
Tcmid
22284
Pub Chem
78384572
Tcmbank
TCMBANKIN025090
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C37H68O6/c1-3-4-5-6-7-8-13-16-19-22-25-33(39)35-26-27-36(43-35)34(40)29-32(38)24-21-18-15-12-10-9-11-14-17-20-23-31-28-30(2)42-37(31)41/h28,30,32-36,38-40H,3-27,29H2,1-2H3
Mol Wt
608.9450000000007
Smiles
CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCCCCCCCCC2=CC(OC2=O)C)O)O)O
Mol Log P
8.870700000000001
In Ch Ikey
ADPAPZVYVYEBGS-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.061
Num Hacceptors
6
Isomeric Smiles
CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCCCCCCCCC2=CC(OC2=O)C)O)O)O
Canonical Smiles
CCCCCCCCCCCCC(C1CCC(O1)C(CC(CCCCCCCCCCCCC2=CC(OC2=O)C)O)O)O
Herb Alias Names
200563-11-7CID 783845724-[13,15-dihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-oneAKOS037514901DA-78807
Molecular Weight
608.9 g/mol
Molecular Formula
C37H68O6
Molecular Formula
C37H68O6
Num Rotatable Bonds
28