Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21994
- Core Entity Id
- 27631
- Source Entity Count
- 1
- Preferred Name
- Icariside f2
- Name En
- Pubchem Id
- 14079044
- Smiles Canonical
- C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O
- Molecular Formula
- C18H26O10
- Molecular Weight
- 402.3960
- Inchikey
- NJMQSVWMCODQIP-FQXXIRCGSA-N
- Inchi
- InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
- Isomeric Smiles
- C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O
- Cas Id
- Ob Score
- Mol Logp
- -2.5320
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Icariside F2
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Icariside F2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Icariside F2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Icariside f2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Icariside f2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
圆叶鹅掌柴
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUAN YE E ZHANG CHAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Roundleaf Schefflera*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
115009-57-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
115009-57-9
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760081
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760081
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:181622
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:181622
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3326712
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3326712
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8085
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8085
Role
alias
Source
HERB_v2
Preferred
No
Name
Icariside F2, >=90% (LC/MS-ELSD)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Icariside F2, >=90% (LC/MS-ELSD)
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385106-01
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00385106-01
Role
alias
Source
HERB_v2
Preferred
No
Name
benzyl acuminose
Role
alias
Source
HERB_v2
Preferred
No
Name
benzyl acuminose
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
圆叶鹅掌柴YUAN YE E ZHANG CHAIRoundleaf Schefflera*(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol115009-57-9AKOS040760081CHEBI:181622CHEMBL3326712HY-N8085Icariside F2, >=90% (LC/MS-ELSD)NCGC00385106-01benzyl acuminose
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029959
Npass
NPC264784
Tcmid
10951
Sym Map
SMIT15935
Tcm Id
3479
Pub Chem
1407904414079045
Tcmbank
TCMBANKIN037064
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
Mol Wt
402.3960000000001
Mol Log P
-2.531999999999997
Version
v1,v2
In Ch Ikey
NJMQSVWMCODQIP-FQXXIRCGSA-N
Suppress
0
Tcm Name
圆叶鹅掌柴
Tcm Name2
YUAN YE E ZHANG CHAI
Mol2 Path
/TCM_database/2007_3d_all/10953.mol2
Reference
3525, 4177, 4302, 4348, 5036, 5217
Num Hdonors
6
Tcm Name En
Roundleaf Schefflera*
Drug Likeness
0.287
Num Hacceptors
10
Isomeric Smiles
C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O
Canonical Smiles
C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O
Herb Alias Names
115009-57-9(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triolbenzyl acuminoseCHEMBL3326712CHEBI:181622HY-N8085AKOS040760081NCGC00385106-01Icariside F2, >=90% (LC/MS-ELSD)
Molecular Weight
402.4 g/mol
Molecule Formula
C18H26O10
Molecular Formula
C18H26O10
Num Rotatable Bonds
7