Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 45717
- Core Entity Id
- 88728
- Source Entity Count
- 1
- Preferred Name
- pingbeimine B
- Name En
- Pubchem Id
- 162823464
- Smiles Canonical
- C[C@H]1CC[C@]2(C)N(C1)C[C@H]1[C@H]([C@H](O)C[C@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@@]5(C)[C@H]4C[C@]13O)[C@]2(C)O
- Molecular Formula
- C28H47NO6
- Molecular Weight
- 494.0000
- Inchikey
- QIQBBBFMVRZUCF-UWKCKEHPSA-N
- Inchi
- InChI=1S/C28H47NO6/c1-15-5-8-25(3)26(4,33)23-20(14-29(25)13-15)27(34)11-19-17(28(27,35)12-22(23)32)10-21(31)18-9-16(30)6-7-24(18,19)2/h15-23,30-35H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20-,21-,22+,23+,24+,25-,26-,27-,28-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.0000
- Num H Donors
- 6
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 125.0000
- Molecular Volume
- 352.0000
- Alogp
- 0.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
pingbeimine B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
pingbeimine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
浙贝母
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Fritillaria ussuriensis
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
ZHE BEI MU
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
9.化痰止咳平喘药(34-34)
Role
level1_name
Source
TCMBank
Preferred
No
Name
cough-suppressing and panting-calming medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.清化热痰药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
clearing and heat-phlegm resolving medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
浙贝母Fritillaria ussuriensisZHE BEI MU9.化痰止咳平喘药(34-34)cough-suppressing and panting-calming medicinal2.清化热痰药(15-15)clearing and heat-phlegm resolving medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN019297
Etcm Ingredient
pingbeimine B
Itcmdb Generated
ITX-INGREDIENT-7F0A413A220FITX-INGREDIENT-BEA43B2B888A
Attributes
Merged source attributes and domain-specific metadata.
Alog P
0
Smiles
[C@@]1([H])(O[H])C([H])([H])[C@]([H])([C@@]([H])(O[H])C([H])([H])[C@@]([H])([C@]2(O[H])[C@@](O[H])([C@]3([H])[C@@]([H])([C@@](O[H])(C([H])([H])[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]([H])(
C([H])([H])[H])C4([H])[H])N4C3([H])[H])[C@]([H])(O[H])C2([H])[H])C5([H])[H])[C@]56[H])[C@@]6(C([H])([H])[H])C([H])([H])C1([H])[H]
37 Flag
37
C Count
28
N Count
1
O Count
6
P Count
0
S Count
0
Tcm Name
浙贝母
Tcm Name2
Fritillaria ussuriensis
Mol2 Path
/TCM_database/9.化痰止咳平喘药(34-34)/2.清化热痰药(15-15)/浙贝母/Fritillaria ussuriensis/structrue/pingbeimine B.mol2
Tcm Name En
ZHE BEI MU
Level1 Name
9.化痰止咳平喘药(34-34)
Level2 Name
2.清化热痰药(15-15)
Num H Donors
6
Level1 Name En
cough-suppressing and panting-calming medicinal
Level2 Name En
clearing and heat-phlegm resolving medicinal
Num H Acceptors
7
Molecular Weight
493.340
Molecular Volume
352
Molecular Weight
494
Molecular Formula
C28H47NO6
Molecular Formula
C28H47NO6
Num Rotatable Bonds
0
Molecular Polar Surface Area
125
Fda Maximum Daily Dose (Fdamdd)
0.939
Quantitative Estimate Of Drug Likeness（Qed）
0.300