IngredientID 48397

Imperialine

C27H43NO3

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 10Ingredient: 1Links: 10

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 48397
Core Entity Id: 91408
Source Entity Count: 1
Preferred Name: Imperialine
Name En
Pubchem Id: 163087568
Smiles Canonical: C[C@H]1CC[C@]2(C)N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@@H](O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@@H]3CC[C@@H]1[C@]2(C)O
Molecular Formula: C27H43NO3
Molecular Weight: 430.0000
Inchikey: IJUZMYCTXOASLY-MNFDZKKMSA-N
Inchi: InChI=1S/C33H53NO8/c1-16-7-10-32(3)33(4,40)22-6-5-18-19(21(22)15-34(32)14-16)12-23-20(18)13-25(35)24-11-17(8-9-31(23,24)2)41-30-28(38)26(36)27(37)29(39)42-30/h16-24,26-30,36-40H,5-15H2,1-4H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,26-,27-,28+,29+,30+,31+,32-,33-/m0/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp: 2.0000
Num H Donors: 2
Num H Acceptors: 4
Num Rotatable Bonds: 0
Drug Likeness
Polar Surface Area: 140.0000
Molecular Volume: 313.0000
Alogp: 2.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Imperialine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Imperialine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

imperialine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

川贝母;西贝母;新疆贝母;伊贝母;

Role

TCM_name

Source

TCMBank

Preferred

Name

Fritillaria delavayi;XI BEI MU;XIN JIANG BEI MU;YI BEI MU

Role

TCM_name2

Source

TCMBank

Preferred

Name

CHUAN BEI MU;Crown ImperiaI;Sinkiang Fritillary;Siberian Fritillary

Role

TCM_name_en

Source

TCMBank

Preferred

Name

9.化痰止咳平喘药(34-34)

Role

level1_name

Source

TCMBank

Preferred

Name

cough-suppressing and panting-calming medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

2.清化热痰药(15-15)

Role

level2_name

Source

TCMBank

Preferred

Name

clearing and heat-phlegm resolving medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

川贝母;西贝母;新疆贝母;伊贝母;Fritillaria delavayi;XI BEI MU;XIN JIANG BEI MU;YI BEI MUCHUAN BEI MU;Crown ImperiaI;Sinkiang Fritillary;Siberian Fritillary9.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

TCMBANKIN028320TCMBANKIN057826

Etcm Ingredient

Imperialine

Itcmdb Generated

ITX-INGREDIENT-3F27DCAA2DD2ITX-INGREDIENT-76DD45BC82A2ITX-INGREDIENT-B5DDDFC65C70

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

Alog P

Smiles

C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])([C@]([H])(C([H])([H])N(C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@]2(C([H])([H])[H])[C@@]3(C([H])([H])[H ])O[H])[C@]3([H])C([H])([H])C4([H])[H])[C@@]45[H])[C@@]5([H])C([H])([H])C6=O)[C@]6([H])C([H])([H])[C@@]1([H])O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])O7C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])([C@]([H])(C([H])([H])N(C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@]2([H])[C@@]3(C([H])([H])[H])O[H])[C@@ ]3([H])C([H])([H])C4([H])[H])[C@@]45[H])[C@@]5([H])C([H])([H])C6=O)[C@]6([H])C([H])([H])[C@@]1([H])O[H]

37 Flag

C Count

2733

N Count

O Count

P Count

S Count

Version

v1,v2

Suppress

Tcm Name

川贝母;西贝母;新疆贝母;伊贝母;浙贝母

Tcm Name2

Fritillaria delavayi;XI BEI MU;XIN JIANG BEI MU;YI BEI MUFritillaria thunbergii

Mol2 Path

/TCM_database/9.化痰止咳平喘药(34-34)/2.清化热痰药(15-15)/川贝母/Fritillaria delavayi/Structure/imperialine.mol2/TCM_database/9.化痰止咳平喘药(34-34)/2.清化热痰药(15-15)/浙贝母/Fritillaria thunbergii/Structure/imperialine.mol2

Tcm Name En

CHUAN BEI MU;Crown ImperiaI;Sinkiang Fritillary;Siberian Fritillary 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

Level1 Name En

cough-suppressing and panting-calming medicinal

Level2 Name En

clearing and heat-phlegm resolving medicinal

Num H Acceptors

Molecular Weight

429.320

Molecular Volume

313415

Molecular Weight

430592

Molecule Formula

C27H43NO3

Molecular Formula

C27H43NO3

Molecular Formula

C27H43NO3C33H53NO8

Num Rotatable Bonds

Molecular Polar Surface Area

14061

Fda Maximum Daily Dose (Fdamdd)

0.915

Quantitative Estimate Of Drug Likeness（Qed）

0.613