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
- 43065
- Core Entity Id
- 86076
- Source Entity Count
- 1
- Preferred Name
- kaempferol 3,7-O-alpha-L-dirhamnopyranoside
- Name En
- Pubchem Id
- 5486199
- Smiles Canonical
- C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
- Molecular Formula
- C27H30O14
- Molecular Weight
- 579.0000
- Inchikey
- PUPKKEQDLNREIM-QNSQPKOQSA-N
- Inchi
- InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.0000
- Num H Donors
- 8
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 225.0000
- Molecular Volume
- 349.0000
- Alogp
- 0.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kaempferol-3,7-O-alphaL-dirhamnopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
kaempferol 3,7-O-alpha-L-dirhamnopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Kaempferol-3,7-O-alphaL-dirhamnopyranoside
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN010170
Etcm Ingredient
Kaempferol-3,7-O-alphaL-dirhamnopyranoside
Itcmdb Generated
ITX-INGREDIENT-243252832D99ITX-INGREDIENT-B88AB0E780C7
Attributes
Merged source attributes and domain-specific metadata.
Alog P
0
Smiles
c1(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])c([H])c(OC(c3c([H])c([H])c(O[H])c([H])c3[H])=C(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O
[H])[C@@]4([H])O[H])C5=O)c5c(O[H])c1[H]
37 Flag
37
C Count
27
N Count
0
O Count
14
P Count
0
S Count
0
Tcm Name
矮地茶
Mol2 Path
/TCM_database/9.化痰止咳平喘药(34-34)/3.止咳平喘药(11-11)/矮地茶/Structure/kaempferol 3,7-O-alpha-L-dirhamnopyranoside.mol2
Tcm Name En
AI DI CHA
Level1 Name
9.化痰止咳平喘药(34-34)
Level2 Name
3.止咳平喘药(11-11)
Num H Donors
8
Level1 Name En
cough-suppressing and panting-calming medicinal
Level2 Name En
cough-suppressing and panting-calming medicinal
Num H Acceptors
14
Molecular Weight
578.160
Molecular Volume
349
Molecular Weight
579
Molecular Formula
C27H30O14
Molecular Formula
C27H30O14
Num Rotatable Bonds
5
Molecular Polar Surface Area
225
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.187