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
- 36523
- Core Entity Id
- 43789
- Source Entity Count
- 1
- Preferred Name
- Viscumneoside i
- Name En
- Pubchem Id
- 42608078
- Smiles Canonical
- COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(CO5)(CO)O)O
- Molecular Formula
- C27H32O15
- Molecular Weight
- 596.5380
- Inchikey
- HGMGIRJXPKZTBP-YVQLQRJJSA-N
- Inchi
- InChI=1S/C27H32O15/c1-37-17-4-11(2-3-15(17)41-26-24(35)27(36,9-29)10-38-26)16-7-14(31)20-13(30)5-12(6-18(20)40-16)39-25-23(34)22(33)21(32)19(8-28)42-25/h2-6,16,19,21-26,28-30,32-36H,7-10H2,1H3/t16-,19?,21?,22?,23?,24?,25?,26?,27?/m0/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(CO5)(CO)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.8946
- Num H Donors
- 8
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Viscumneoside I
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Viscumneoside I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Viscumneoside I
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Viscumneoside I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Viscumneoside i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Viscumneoside i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
槲寄生
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HU JI SHENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Colored Mistletoe
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
LMPK12140581
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140581
Role
alias
Source
SymMap_v2
Preferred
No
Name
LMPK12140581
Role
alias
Source
TCMBank
Preferred
No
Name
LMPK12140581
Role
alias
Source
itcmdb_public
Preferred
No
Name
Viscumneoside I
Role
alias
Source
TCMBank
Preferred
No
Name
Viscumneoside I
Role
alias
Source
SymMap_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
槲寄生HU JI SHENGColored MistletoeLMPK12140581
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048021
Npass
NPC239107
Tcmid
22520
Sym Map
SMIT18184
Pub Chem
42608078
Tcmbank
TCMBANKIN038960
Etcm Ingredient
Viscumneoside I
Itcmdb Generated
ITX-INGREDIENT-42D9F6F7E00B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C27H32O15/c1-37-17-4-11(2-3-15(17)41-26-24(35)27(36,9-29)10-38-26)16-7-14(31)20-13(30)5-12(6-18(20)40-16)39-25-23(34)22(33)21(32)19(8-28)42-25/h2-6,16,19,21-26,28-30,32-36H,7-10H2,1H3/t16-,19?,21?,22?,23?,24?,25?,26?,27?/m0/s1
Mol Wt
596.5380000000002
Mol Log P
-1.894599999999999
Version
v1,v2
In Ch Ikey
HGMGIRJXPKZTBP-YVQLQRJJSA-N
Suppress
0
Tcm Name
槲寄生
Tcm Name2
HU JI SHENG
Mol2 Path
/TCM_database/2007_3d_all/22536.mol2
Reference
660, 1521
Num Hdonors
8
Tcm Name En
Colored Mistletoe
Drug Likeness
0.166
Num Hacceptors
15
Isomeric Smiles
COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(CO5)(CO)O)O
Canonical Smiles
COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(CO5)(CO)O)O
Herb Alias Names
LMPK12140581
Molecular Weight
596.170
Molecular Weight
596.5 g/mol
Molecular Formula
C27H32O15
Molecular Formula
C27H32O15
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.027
Quantitative Estimate Of Drug Likeness（Qed）
0.166