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
- 45476
- Core Entity Id
- 88487
- Source Entity Count
- 1
- Preferred Name
- tricin-7-O-neohesperidoside
- Name En
- Pubchem Id
- 163045215
- Smiles Canonical
- COc1cc(-c2cc(=O)c3c(O)cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc3o2)ccc1O
- Molecular Formula
- C29H34O16
- Molecular Weight
- 609.0000
- Inchikey
- LGOQXEQWOCSLEC-RDHXSJJASA-N
- Inchi
- InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-16(41-18(20)7-12)11-3-4-13(30)17(5-11)38-2/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19-,21-,22-,23+,24+,25+,26-,27-,28+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.0000
- Num H Donors
- 8
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 234.0000
- Molecular Volume
- 371.0000
- Alogp
- 0.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
tricin 7-O-neohesperidoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
tricin-7-O-neohesperidoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
金银花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Lonicera japonica
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lonicera confuse
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
tricin 7-O-neohesperidoside金银花Lonicera japonicaLonicera confuse2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN018534
Etcm Ingredient
tricin 7-O-neohesperidoside
Itcmdb Generated
ITX-INGREDIENT-10955DB27D3BITX-INGREDIENT-BCD54C2AC872
Attributes
Merged source attributes and domain-specific metadata.
Alog P
0
Smiles
c1(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])c([H])c(OC(c4c([H])c(OC([H])([H]
)[H])c(O[H])c([H])c4[H])=C([H])C5=O)c5c(O[H])c1[H]
37 Flag
37
C Count
28
N Count
0
O Count
15
P Count
0
S Count
0
Tcm Name
金银花
Tcm Name2
Lonicera japonica
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/金银花/Lonicera japonica/structure/tricin-7-O-neohesperidoside.mol2
Tcm Name En
Lonicera confuse
Level1 Name
2.清热药(64-64)
Level2 Name
3.清热解毒药(30-30)
Num H Donors
8
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Num H Acceptors
15
Molecular Weight
638.180
Molecular Volume
371
Molecular Weight
609
Molecular Formula
C29H34O16
Molecular Formula
C28H32O15
Num Rotatable Bonds
7
Molecular Polar Surface Area
234
Fda Maximum Daily Dose (Fdamdd)
0.016
Quantitative Estimate Of Drug Likeness（Qed）
0.146