Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31395
- Core Entity Id
- 38083
- Source Entity Count
- 1
- Preferred Name
- Quercetin-3-rutinoside-7-rhamnoside
- Name En
- Pubchem Id
- 139031041
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O
- Molecular Formula
- C33H40O20
- Molecular Weight
- 756.6630
- Inchikey
- BFCXCFJUDBNEMU-FCVJMGGFSA-N
- Inchi
- InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9?,10?,17?,19-,20-,21+,23-,24-,25?,26?,27?,28?,31+,32-,33-/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[C@H]5C([C@H]([C@H](C(O5)C)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.1864
- Num H Donors
- 12
- Num H Acceptors
- 20
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quercetin-3-rutinoside-7-rhamnoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Quercetin-3-rutinoside-7-rhamnoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Quercetin-3-rutinoside-7-rhamnoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
林问荆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIN WEN JING
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Forest Horsetail
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
LMPK12112127
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12112127
Role
alias
Source
HERB_v2
Preferred
No
Name
Quercetin 3-rutinoside-7-rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Quercetin 3-rutinoside-7-rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
林问荆LIN WEN JINGForest HorsetailLMPK12112127Quercetin 3-rutinoside-7-rhamnoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041672
Tcmid
18377
Pub Chem
13903104144259176
Tcmbank
TCMBANKIN039572
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9?,10?,17?,19-,20-,21+,23-,24-,25?,26?,27?,28?,31+,32-,33-/m0/s1
Mol Wt
756.6630000000008
Mol Log P
-3.186399999999998
In Ch Ikey
BFCXCFJUDBNEMU-FCVJMGGFSA-N
Tcm Name
林问荆
Tcm Name2
LIN WEN JING
Mol2 Path
/TCM_database/2007_3d_all/18392.mol2
Reference
4042
Num Hdonors
12
Tcm Name En
Forest Horsetail
Drug Likeness
0.101
Num Hacceptors
20
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[C@H]5C([C@H]([C@H](C(O5)C)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O
Herb Alias Names
Quercetin 3-rutinoside-7-rhamnosideLMPK12112127
Molecular Weight
756.7 g/mol
Molecular Formula
C33H40O20
Num Rotatable Bonds
8