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
- 28476
- Core Entity Id
- 34838
- Source Entity Count
- 1
- Preferred Name
- Oleuropeinicacid
- Name En
- Pubchem Id
- 95224355
- Smiles Canonical
- COC(=O)C1=COC(C(=CC(=O)O)C1CC(=O)OCCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C25H30O15
- Molecular Weight
- 570.5000
- Inchikey
- XJDJODWHDUVAGF-LCLHHKTLSA-N
- Inchi
- InChI=1S/C25H30O15/c1-36-23(35)14-10-38-24(40-25-22(34)21(33)20(32)17(9-26)39-25)13(7-18(29)30)12(14)8-19(31)37-5-4-11-2-3-15(27)16(28)6-11/h2-3,6-7,10,12,17,20-22,24-28,32-34H,4-5,8-9H2,1H3,(H,29,30)/b13-7-/t12-,17+,20+,21-,22+,24-,25-/m0/s1
- Isomeric Smiles
- COC(=O)C1=CO[C@H](/C(=C\C(=O)O)/[C@@H]1CC(=O)OCCC2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.5695
- Num H Donors
- 7
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.0960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Oleuropeinicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oleuropeinicacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Oleuropeinicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
oleuropeinicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038055
Tcmid
16071
Sym Map
SMIT25826
Pub Chem
95224355
Tcmbank
TCMBANKIN036445
Itcmdb Generated
ITX-INGREDIENT-11ED574CC06A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C25H30O15/c1-36-23(35)14-10-38-24(40-25-22(34)21(33)20(32)17(9-26)39-25)13(7-18(29)30)12(14)8-19(31)37-5-4-11-2-3-15(27)16(28)6-11/h2-3,6-7,10,12,17,20-22,24-28,32-34H,4-5,8-9H2,1H3,(H,29,30)/b13-7-/t12-,17+,20+,21-,22+,24-,25-/m0/s1
Mol Wt
570.5000000000005
Smiles
COC(=O)C1=COC(C(=CC(=O)O)C1CC(=O)OCCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Mol Log P
-1.5695
Version
v2
In Ch Ikey
XJDJODWHDUVAGF-LCLHHKTLSA-N
Suppress
0
Num Hdonors
7
Drug Likeness
0.096
Num Hacceptors
14
Isomeric Smiles
COC(=O)C1=CO[C@H](/C(=C\C(=O)O)/[C@@H]1CC(=O)OCCC2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Canonical Smiles
COC(=O)C1=COC(C(=CC(=O)O)C1CC(=O)OCCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Molecular Formula
C25H30O15
Molecular Formula
C25H30O15
Num Rotatable Bonds
10