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
- 43294
- Core Entity Id
- 86305
- Source Entity Count
- 1
- Preferred Name
- kaempferol 7-O-(2-E-p-coumaroyl-R-L-rhamnoside)
- Name En
- Pubchem Id
- 11678667
- Smiles Canonical
- C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H]1O
- Molecular Formula
- C30H26O12
- Molecular Weight
- 579.0000
- Inchikey
- XUUODWXANHZAFB-OKOXDJDNSA-N
- Inchi
- InChI=1S/C30H26O12/c1-14-24(35)26(37)29(42-22(34)11-4-15-2-7-17(31)8-3-15)30(39-14)40-19-12-20(33)23-21(13-19)41-28(27(38)25(23)36)16-5-9-18(32)10-6-16/h2-14,24,26,29-33,35,37-38H,1H3/b11-4+/t14-,24-,26+,29+,30-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 6
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 192.0000
- Molecular Volume
- 361.0000
- Alogp
- 3.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
kaempferol 7-O-(2-E-p-coumaroyl-R-L-rhamnoside)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
kaempferol 7-O-(2-E-p-coumaroyl-R-L-rhamnoside)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
通草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Tetrapanax papyriferus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4.利水渗湿药(27-27)
Role
level1_name
Source
TCMBank
Preferred
No
Name
dampness-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.利水通淋药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
water-draining and strangury-relieving medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
通草Tetrapanax papyriferus4.利水渗湿药(27-27)dampness-resolving medicinal2.利水通淋药(11-11)water-draining and strangury-relieving medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN011004
Etcm Ingredient
kaempferol 7-O-(2-E-p-coumaroyl-R-L-rhamnoside)
Itcmdb Generated
ITX-INGREDIENT-61197E2D6793ITX-INGREDIENT-A2C478408D9D
Attributes
Merged source attributes and domain-specific metadata.
Alog P
3
Smiles
c1([H])c([H])c(O[H])c([H])c([H])c1C2=C(O[H])C(=O)c(c(O[H])c([H])c(O[C@]([H])(O[C@@]3([H])C([H])([H])[H])[C@]([H])(OC(=O)\C([H])=C([H])\c4c([H])c([H])c(O[H])c([H])c4[H])[C@]([H])(O[H])[C@@]3([H])O[H])c
5[H])c5O2
37 Flag
37
C Count
30
N Count
0
O Count
12
P Count
0
S Count
0
Tcm Name
通草
Mol2 Path
/TCM_database/4.利水渗湿药(27-27)/2.利水通淋药(11-11)/通草/structure/kaempferol 7-O-(2-E-p-coumaroyl-R-L-rhamnoside).mol2
Tcm Name En
Tetrapanax papyriferus
Level1 Name
4.利水渗湿药(27-27)
Level2 Name
2.利水通淋药(11-11)
Num H Donors
6
Level1 Name En
dampness-resolving medicinal
Level2 Name En
water-draining and strangury-relieving medicinal
Num H Acceptors
12
Molecular Weight
578.140
Molecular Volume
361
Molecular Weight
579
Molecular Formula
C30H26O12
Molecular Formula
C30H26O12
Num Rotatable Bonds
7
Molecular Polar Surface Area
192
Fda Maximum Daily Dose (Fdamdd)
0.041
Quantitative Estimate Of Drug Likeness（Qed）
0.145