Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18957
- Core Entity Id
- 24250
- Source Entity Count
- 1
- Preferred Name
- Euphorprolitherin b
- Name En
- Pubchem Id
- 12015978
- Smiles Canonical
- CCC(=O)OC1C2C(C34COC(C3C(C=CC4OC(=O)C)C(C)(C)OC(=O)C)(C(C2(CC1(C)OC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5)C)OC(=O)C
- Molecular Formula
- C40H50O15
- Molecular Weight
- 770.8250
- Inchikey
- OLFJQGDCCPBPGR-QEIRTWJOSA-N
- Inchi
- InChI=1S/C40H50O15/c1-11-29(46)51-32-30-33(50-22(3)42)39-20-48-38(10,31(39)27(36(7,8)53-23(4)43)17-18-28(39)49-21(2)41)35(52-34(47)26-15-13-12-14-16-26)40(30,55-25(6)45)19-37(32,9)54-24(5)44/h12-18,27-28,30-33,35H,11,19-20H2,1-10H3/t27-,28+,30+,31-,32+,33+,35+,37+,38+,39+,40+/m0/s1
- Isomeric Smiles
- CCC(=O)O[C@@H]1[C@@H]2[C@H]([C@@]34CO[C@]([C@@H]3[C@H](C=C[C@H]4OC(=O)C)C(C)(C)OC(=O)C)([C@H]([C@]2(C[C@@]1(C)OC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5)C)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9736
- Num H Donors
- 0
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.1880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Euphorprolitherin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Euphorprolitherin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Euphorprolitherin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
473988-65-7
Role
alias
Source
HERB_v2
Preferred
No
Name
473988-65-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:69728
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:69728
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1927845
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1927845
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27138073
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27138073
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(1R,2R,3S,4R,5R,7R,8R,9R,10R,11S,14R)-2,5,7,14-tetraacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1R,2R,3S,4R,5R,7R,8R,9R,10R,11S,14R)-2,5,7,14-tetraacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
473988-65-7CHEBI:69728CHEMBL1927845Q27138073[(1R,2R,3S,4R,5R,7R,8R,9R,10R,11S,14R)-2,5,7,14-tetraacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026206
Npass
NPC149401
Tcmid
36558
Pub Chem
12015978
Tcmbank
TCMBANKIN013989
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C40H50O15/c1-11-29(46)51-32-30-33(50-22(3)42)39-20-48-38(10,31(39)27(36(7,8)53-23(4)43)17-18-28(39)49-21(2)41)35(52-34(47)26-15-13-12-14-16-26)40(30,55-25(6)45)19-37(32,9)54-24(5)44/h12-18,27-28,30-33,35H,11,19-20H2,1-10H3/t27-,28+,30+,31-,32+,33+,35+,37+,38+,39+,40+/m0/s1
Mol Wt
770.8250000000004
Smiles
CCC(=O)OC1C2C(C34COC(C3C(C=CC4OC(=O)C)C(C)(C)OC(=O)C)(C(C2(CC1(C)OC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5)C)OC(=O)C
Mol Log P
3.973600000000003
In Ch Ikey
OLFJQGDCCPBPGR-QEIRTWJOSA-N
Num Hdonors
0
Drug Likeness
0.188
Num Hacceptors
15
Isomeric Smiles
CCC(=O)O[C@@H]1[C@@H]2[C@H]([C@@]34CO[C@]([C@@H]3[C@H](C=C[C@H]4OC(=O)C)C(C)(C)OC(=O)C)([C@H]([C@]2(C[C@@]1(C)OC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5)C)OC(=O)C
Canonical Smiles
CCC(=O)OC1C2C(C34COC(C3C(C=CC4OC(=O)C)C(C)(C)OC(=O)C)(C(C2(CC1(C)OC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5)C)OC(=O)C
Herb Alias Names
CHEBI:69728[(1R,2R,3S,4R,5R,7R,8R,9R,10R,11S,14R)-2,5,7,14-tetraacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate((1R,2R,3S,4R,5R,7R,8R,9R,10R,11S,14R)-2,5,7,14-tetraacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo(7.5.2.01,10.03,7)hexadec-12-en-8-yl) benzoateCHEMBL1927845Q27138073473988-65-7
Molecular Weight
770.8 g/mol
Molecular Formula
C40H50O15
Molecular Formula
C40H50O15
Num Rotatable Bonds
10