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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34329
- Core Entity Id
- 41353
- Source Entity Count
- 1
- Preferred Name
- Syringetin-3-rutinoside
- Name En
- Pubchem Id
- 44259493
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O)O)O)O)O)O
- Molecular Formula
- C29H34O17
- Molecular Weight
- 654.5740
- Inchikey
- BWDMLCWSGGUHGK-PPKCOPKDSA-N
- Inchi
- InChI=1S/C29H34O17/c1-9-18(32)22(36)24(38)28(43-9)42-8-16-20(34)23(37)25(39)29(45-16)46-27-21(35)17-12(31)6-11(30)7-13(17)44-26(27)10-4-14(40-2)19(33)15(5-10)41-3/h4-7,9,16,18,20,22-25,28-34,36-39H,8H2,1-3H3/t9?,16?,18-,20+,22-,23?,24?,25?,28+,29-/m0/s1
- Isomeric Smiles
- CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H](C(C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O)O)O)O)O)O
- Cas Id
- 53430-50-5
- Ob Score
- 6.1170
- Mol Logp
- -1.3755
- Num H Donors
- 9
- Num H Acceptors
- 17
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Syringetin-3-Rutinoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Syringetin-3-rutinoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Syringetin-3-rutinoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Syringetin-3-rutinoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Syringetin-3-rutinoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
白果叶(银杏叶)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI GUO YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ginkgo Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
LMPK12112489
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12112489
Role
alias
Source
HERB_v2
Preferred
No
Name
Syringetin 3-rutinoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Syringetin 3-rutinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Syringetin-3-O-robinobioside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Syringetin-3-o-robinobioside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
长春花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG CHUN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Madagascar Periwinkle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
白果叶(银杏叶)BAI GUO YEGinkgo LeafLMPK12112489Syringetin 3-rutinosideSyringetin-3-O-robinobioside长春花CHANG CHUN HUAMadagascar Periwinkle
Cross References
Trusted external identifiers retained for this final record.
Cas
53430-50-5
Herb
HBIN045291HBIN045290
Npass
NPC78404
Tcmid
2054920548
Tcmsp
MOL011605
Sym Map
SMIT12481
Pub Chem
4425949311968965
Tcmbank
TCMBANKIN009902TCMBANKIN030373TCMBANKIN060263
Etcm Ingredient
Syringetin-3-rutinosideSyringetin-3-O-robinobioside
Itcmdb Generated
ITX-INGREDIENT-01A7E76DBE19ITX-INGREDIENT-16CE1CD964ABITX-INGREDIENT-5EE26647A990ITX-INGREDIENT-AB6148A5C8A0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C29H34O17/c1-9-18(32)22(36)24(38)28(43-9)42-8-16-20(34)23(37)25(39)29(45-16)46-27-21(35)17-12(31)6-11(30)7-13(17)44-26(27)10-4-14(40-2)19(33)15(5-10)41-3/h4-7,9,16,18,20,22-25,28-34,36-39H,8H2,1-3H3/t9?,16?,18-,20+,22-,23?,24?,25?,28+,29-/m0/s1
Mol Wt
654.5740000000008
Cas Id
53430-50-5
Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O)O)O)O)O)O
Mol Log P
-1.3755
Version
v1,v2
In Ch Ikey
BWDMLCWSGGUHGK-PPKCOPKDSA-N
Ob Score
6.1176.117063657
Suppress
0
Tcm Name
白果叶(银杏叶)
Tcm Name2
BAI GUO YE
Mol2 Path
/TCM_database/2007_3d_all/20565.mol2
Reference
660
Num Hdonors
9
Tcm Name En
Ginkgo Leaf
Drug Likeness
0.135
Num Hacceptors
17
Isomeric Smiles
CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H](C(C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O)O)O)O)O)O
Molecule Weight
654.63
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O)O)O)O)O)O
Herb Alias Names
Syringetin 3-rutinosideLMPK12112489
Molecular Weight
654.180
Molecular Weight
654.57
Molecular Formula
C29H34O17
Molecular Formula
C29H34O17
Molecular Formula
C29H34O17
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.016
Quantitative Estimate Of Drug Likeness（Qed）
0.135