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
- 53222
- Core Entity Id
- 96233
- Source Entity Count
- 1
- Preferred Name
- 磨盘草;羊屎果;金鱼草;暗红委陵菜;水麻芀
- Name En
- Pubchem Id
- 441674
- Smiles Canonical
- C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
- Molecular Formula
- C27H31O15+
- Molecular Weight
- 595.5000
- Inchikey
- USNPULRDBDVJAO-FXCAAIILSA-O
- Inchi
- InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.7662
- Num H Donors
- 10
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 240.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
磨盘草;羊屎果;金鱼草;暗红委陵菜;水麻芀
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MO PAN CAO;YANG SHI GUO;Dracula cordobae;JIN YU CAO;AN HONG WEI LING CAI;SHUI MA TIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indian Abutilon;Duhat;Common Snapdragon;Darksanguine Cinquefoil*;Thunberg Knotweed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
MO PAN CAO;YANG SHI GUO;Dracula cordobae;JIN YU CAO;AN HONG WEI LING CAI;SHUI MA TIAOIndian Abutilon;Duhat;Common Snapdragon;Darksanguine Cinquefoil*;Thunberg Knotweed
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN050640
Itcmdb Generated
ITX-INGREDIENT-7905EF89D09B
Attributes
Merged source attributes and domain-specific metadata.
Smiles
[C@]1([H])(C([H])([H])[H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(Oc3c([H])c(c(O[H])c([H])c(O[H])c4[H])c4[o+]c3c5c([H])c(O[H])c(O[H])c([H])c5[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C
@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
Tcm Name
磨盘草;羊屎果;金鱼草;暗红委陵菜;水麻芀
Tcm Name2
MO PAN CAO;YANG SHI GUO;Dracula cordobae;JIN YU CAO;AN HONG WEI LING CAI;SHUI MA TIAO
Mol2 Path
/TCM_database/2003_3d_all/1793.mol2
Reference
6, 658, 660, 3406
Tcm Name En
Indian Abutilon;Duhat;Common Snapdragon;Darksanguine Cinquefoil*;Thunberg Knotweed
Molecular Formula
C27H31O15