Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36528
- Core Entity Id
- 43794
- Source Entity Count
- 1
- Preferred Name
- Viscumneoside v
- Name En
- Pubchem Id
- 195288
- Smiles Canonical
- COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(COC6C(C(CO6)(CO)O)O)O)O)O)O
- Molecular Formula
- C32H40O19
- Molecular Weight
- 728.6530
- Inchikey
- HUBUCUOTSSVULF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H40O19/c1-44-19-4-13(2-3-15(19)35)18-7-17(37)22-16(36)5-14(6-20(22)49-18)48-28-25(24(39)23(38)21(8-33)50-28)51-30-27(41)32(43,12-47-30)11-46-29-26(40)31(42,9-34)10-45-29/h2-6,18,21,23-30,33-36,38-43H,7-12H2,1H3
- Isomeric Smiles
- COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(COC6C(C(CO6)(CO)O)O)O)O)O)O
- Cas Id
- 119016-92-1
- Ob Score
- 5.5040
- Mol Logp
- -3.0786
- Num H Donors
- 10
- Num H Acceptors
- 19
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.1100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Viscumneoside V
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Viscumneoside V
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Viscumneoside V
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Viscumneoside v
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Viscumneoside v
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
119016-92-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
119016-92-1
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-[4-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]hexopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-[4-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]hexopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-[3-[4-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-[3-[4-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80922852
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80922852
Role
alias
Source
itcmdb_public
Preferred
No
Name
Homoeriodictyol-7-apiosyl(1-5)-apiosyl(1-2)-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Homoeriodictyol-7-apiosyl(1-5)-apiosyl(1-2)-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140437
Role
alias
Source
TCMBank
Preferred
No
Name
viscumneosideV
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
119016-92-15-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-[4-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]hexopyranoside7-[3-[4-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-oneDTXSID80922852Homoeriodictyol-7-apiosyl(1-5)-apiosyl(1-2)-glucopyranosideLMPK12140437viscumneosideV
Cross References
Trusted external identifiers retained for this final record.
Cas
119016-92-1
Herb
HBIN048026
Npass
NPC241196
Tcmid
22524
Tcmsp
MOL000343MOL000369
Sym Map
SMIT02964SMIT02983SMIT18188
Pub Chem
1952884260800671718795
Tcmbank
TCMBANKIN006878
Etcm Ingredient
Viscumneoside V
Itcmdb Generated
ITX-INGREDIENT-3881E51C050D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H40O19/c1-44-19-4-13(2-3-15(19)35)18-7-17(37)22-16(36)5-14(6-20(22)49-18)48-28-25(24(39)23(38)21(8-33)50-28)51-30-27(41)32(43,12-47-30)11-46-29-26(40)31(42,9-34)10-45-29/h2-6,18,21,23-30,33-36,38-43H,7-12H2,1H3
Mol Wt
728.6530000000005
Cas Id
119016-92-1
Smiles
COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(COC6C(C(CO6)(CO)O)O)O)O)O)O
Mol Log P
-3.078599999999995
Version
v1,v2
In Ch Ikey
HUBUCUOTSSVULF-UHFFFAOYSA-N
Ob Score
5.5045.5043625.504362152
Suppress
1
Num Hdonors
10
Drug Likeness
0.11
Num Hacceptors
19
Isomeric Smiles
COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(COC6C(C(CO6)(CO)O)O)O)O)O)O
Molecule Weight
728.72
Canonical Smiles
COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(COC6C(C(CO6)(CO)O)O)O)O)O)O
Herb Alias Names
119016-92-17-[3-[4-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-oneHomoeriodictyol-7-apiosyl(1-5)-apiosyl(1-2)-glucopyranosideDTXSID809228525-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-[4-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]hexopyranoside
Molecular Weight
728.220
Molecular Weight
728.65
Molecular Formula
C32H40O19
Molecular Formula
C32H40O19
Molecular Formula
C32H40O19
Num Rotatable Bonds
11
Link Ingredient Id
2964.0
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.110