IngredientID 25044

Sparteine

C15H26N2

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: 11Ingredient: 1Target: 6Links: 17

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 25044
Core Entity Id: 31032
Source Entity Count: 1
Preferred Name: Sparteine
Name En
Pubchem Id: 10331615
Smiles Canonical: C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
Molecular Formula: C15H26N2
Molecular Weight: 234.3870
Inchikey: SLRCCWJSBJZJBV-AJNGGQMLSA-N
Inchi: InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
Isomeric Smiles: C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@H]3CCCC4
Cas Id: 24915-04-6
Ob Score: 59.8136
Mol Logp: 2.3451
Num H Donors: 0
Num H Acceptors: 2
Num Rotatable Bonds: 0
Drug Likeness: 0.6350
Polar Surface Area: 6.4800
Molecular Volume: 212.3100
Alogp: 2.3630

Names

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

Name

Beta-Isosparteine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Lupinidine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Sparteine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Beta-Isosparteine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Beta-isosparteine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Beta-isosparteine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Lupinidine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Lupinidine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Lupinidine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Lupinidine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Lupinidine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Pachycarpine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Pachycarpine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Pachycarpine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Sparteine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Sparteine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Sparteine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Sparteine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Sparteine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

beta-Isosparteine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

野决明

Role

TCM_name

Source

TCMBank

Preferred

Name

黄羽扇豆; 白屈菜;金雀儿; 牧马豆

Role

TCM_name

Source

TCMBank

Preferred

Name

HUANG YU SHAN DOU; BAI QU CAI; JIN QUE ER; MU MA DOU

Role

TCM_name2

Source

TCMBank

Preferred

Name

YE JUE MING

Role

TCM_name2

Source

TCMBank

Preferred

Name

Wild Thermopsis

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Yellow Lupin; Chelidonii Herba; Scotch Broom; Lanceleaf Thermopsis

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(-)-Lupinidine

Role

alias

Source

itcmdb_public

Preferred

Name

(-)-Lupinidine

Role

alias

Source

HERB_v2

Preferred

Name

(-)-Sparteine

Role

alias

Source

itcmdb_public

Preferred

Name

(-)-Sparteine sulfate salt

Role

alias

Source

TCMBank

Preferred

Name

(-)-Sparteine, >=98.0% (GC)

Role

alias

Source

SymMap_v2

Preferred

Name

(-)-Sparteine, >=98.0% (GC)

Role

alias

Source

TCMBank

Preferred

Name

(-)-beta-Isosparteine

Role

alias

Source

TCMBank

Preferred

Name

(-)-beta-Isosparteine

Role

alias

Source

HERB_v2

Preferred

Name

(1S,2S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

Role

alias

Source

HERB_v2

Preferred

Name

(1S,2S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

Role

alias

Source

itcmdb_public

Preferred

Name

(6''R'',8''S'',10''R'',12''S'')-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

Role

alias

Source

TCMBank

Preferred

Name

(6''R'',8''S'',10''R'',12''S'')-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

Role

alias

Source

SymMap_v2

Preferred

Name

(7R-(7alpha,7aalpha,14alpha,14abeta))-Dodecahydro-7,14-methano-2H,6H-dipyrido (1,2-a:1',2'-e)(1,5)diazocine

Role

alias

Source

HERB_v2

Preferred

Name

(7R-(7alpha,7aalpha,14alpha,14abeta))-Dodecahydro-7,14-methano-2H,6H-dipyrido (1,2-a:1',2'-e)(1,5)diazocine

Role

alias

Source

TCMBank

Preferred

Name

(7R-(7alpha,7aalpha,14alpha,14abeta))-Dodecahydro-7,14-methano-2H,6H-dipyrido (1,2-a:1',2'-e)(1,5)diazocine

Role

alias

Source

itcmdb_public

Preferred

Name

(7S,7aR,14S,14aS)-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine

Role

alias

Source

TCMBank

Preferred

Name

(7S,7aR,14S,14aS)-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine

Role

alias

Source

SymMap_v2

Preferred

Name

(7S,7aR,14S,14aS)-Tetradecahydro-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine

Role

alias

Source

SymMap_v2

Preferred

Name

(7S,7aR,14S,14aS)-Tetradecahydro-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine

Role

alias

Source

TCMBank

Preferred

Name

(7S,7aS,14S,14aR)-dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine

Role

alias

Source

SymMap_v2

Preferred

Name

(7S,7aS,14S,14aR)-dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine

Role

alias

Source

TCMBank

Preferred

Name

.beta.-Isosparteine

Role

alias

Source

itcmdb_public

Preferred

Name

24915-04-6

Role

alias

Source

itcmdb_public

Preferred

Name

24915-04-6

Role

alias

Source

TCMBank

Preferred

Name

24915-04-6

Role

alias

Source

HERB_v2

Preferred

Name

298897D62S

Role

alias

Source

SymMap_v2

Preferred

Name

298897D62S

Role

alias

Source

TCMBank

Preferred

Name

299-39-8 (SULFATE)

Role

alias

Source

TCMBank

Preferred

Name

446-95-7

Role

alias

Source

TCMBank

Preferred

Name

492-08-0

Role

alias

Source

TCMBank

Preferred

Name

492-08-0

Role

alias

Source

HERB_v2

Preferred

Name

492-08-0

Role

alias

Source

itcmdb_public

Preferred

Name

5-23-05-00497 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

6-alpha,7-beta,9-beta,11-beta-Sparteine

Role

alias

Source

HERB_v2

Preferred

Name

6-alpha,7-beta,9-beta,11-beta-Sparteine

Role

alias

Source

TCMBank

Preferred

Name

6-alpha,7-beta,9-beta,11-beta-Sparteine

Role

alias

Source

itcmdb_public

Preferred

Name

6-beta,7-alpha,9-alpha,11-alpha-Pachycarpine

Role

alias

Source

TCMBank

Preferred

Name

6160-12-9 (SULFATE PENTAHYDRATE)

Role

alias

Source

TCMBank

Preferred

Name

6beta,7alpha,9alpha,11alpha-Pachycarpine

Role

alias

Source

SymMap_v2

Preferred

Name

7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, decahydro-, (7R,7aR,14R,14aS)-

Role

alias

Source

TCMBank

Preferred

Name

7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-

Role

alias

Source

SymMap_v2

Preferred

Name

7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7aalpha,14alpha,14abeta))-

Role

alias

Source

SymMap_v2

Preferred

Name

7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7aalpha,14alpha,14abeta))-

Role

alias

Source

TCMBank

Preferred

Name

7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7abeta,14alpha,14abeta))-

Role

alias

Source

TCMBank

Preferred

Name

7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-

Role

alias

Source

TCMBank

Preferred

Name

7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, (7S,7aR,14S,14aS)-

Role

alias

Source

SymMap_v2

Preferred

Name

7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, (7S,7aR,14S,14aS)-

Role

alias

Source

TCMBank

Preferred

Name

90-39-1

Role

alias

Source

TCMBank

Preferred

Name

90-39-1

Role

alias

Source

SymMap_v2

Preferred

Name

90-39-1

Role

alias

Source

HERB_v2

Preferred

Name

90-39-1

Role

alias

Source

itcmdb_public

Preferred

Name

90-39-1(FREE BASE )

Role

alias

Source

TCMBank

Preferred

Name

AC1LD8G5

Role

alias

Source

SymMap_v2

Preferred

Name

AC1LD8G5

Role

alias

Source

TCMBank

Preferred

Name

AC1LVZQY

Role

alias

Source

SymMap_v2

Preferred

Name

AC1LVZQY

Role

alias

Source

TCMBank

Preferred

Name

AIDS002701

Role

alias

Source

TCMBank

Preferred

Name

AJ-67273

Role

alias

Source

SymMap_v2

Preferred

Name

AJ-67273

Role

alias

Source

TCMBank

Preferred

Name

AK122435

Role

alias

Source

TCMBank

Preferred

Name

AK122435

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS016012217

Role

alias

Source

TCMBank

Preferred

Name

AKOS016012217

Role

alias

Source

SymMap_v2

Preferred

Name

Alkyl Polyglucoside

Role

alias

Source

SymMap_v2

Preferred

Name

Alkyl Polyglucoside

Role

alias

Source

TCMBank

Preferred

Name

Alkylamphopropionate

Role

alias

Source

SymMap_v2

Preferred

Name

Alkylamphopropionate

Role

alias

Source

TCMBank

Preferred

Name

Ambotz90-39-1

Role

alias

Source

TCMBank

Preferred

Name

Ambotz90-39-1

Role

alias

Source

SymMap_v2

Preferred

Name

BPBio1_000612

Role

alias

Source

SymMap_v2

Preferred

Name

BPBio1_000612

Role

alias

Source

TCMBank

Preferred

Name

BRN 3540601

Role

alias

Source

itcmdb_public

Preferred

Name

BRN 3540601

Role

alias

Source

HERB_v2

Preferred

Name

BRN 3540601

Role

alias

Source

TCMBank

Preferred

Name

BSPBio_000556

Role

alias

Source

SymMap_v2

Preferred

Name

BSPBio_000556

Role

alias

Source

TCMBank

Preferred

Name

C10783

Role

alias

Source

SymMap_v2

Preferred

Name

C10783

Role

alias

Source

TCMBank

Preferred

Name

CAS-90-39-1

Role

alias

Source

SymMap_v2

Preferred

Name

CAS-90-39-1

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:28827

Role

alias

Source

SymMap_v2

Preferred

Name

CHEBI:28827

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL1908847

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL1908847

Role

alias

Source

SymMap_v2

Preferred

Name

CS-W012901

Role

alias

Source

TCMBank

Preferred

Name

CS-W012901

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_CID_3591

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_CID_3591

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_GSID_23591

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_GSID_23591

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_RID_77098

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_RID_77098

Role

alias

Source

SymMap_v2

Preferred

Name

Depasan (Sulfate pentahydrate)

Role

alias

Source

TCMBank

Preferred

Name

DivK1c_000631

Role

alias

Source

TCMBank

Preferred

Name

Dodecahydro-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine (7S-(7alpha,7abeta,14alpha,14abeta))-

Role

alias

Source

TCMBank

Preferred

Name

EBD2202131

Role

alias

Source

SymMap_v2

Preferred

Name

EBD2202131

Role

alias

Source

TCMBank

Preferred

Name

EINECS 201-988-8

Role

alias

Source

TCMBank

Preferred

Name

EINECS 201-988-8

Role

alias

Source

SymMap_v2

Preferred

Name

Esparteina

Role

alias

Source

HERB_v2

Preferred

Name

Esparteina

Role

alias

Source

SymMap_v2

Preferred

Name

Esparteina

Role

alias

Source

TCMBank

Preferred

Name

Esparteina

Role

alias

Source

itcmdb_public

Preferred

Name

Esparteina [INN-Spanish]

Role

alias

Source

TCMBank

Preferred

Name

Esparteina [INN-Spanish]

Role

alias

Source

SymMap_v2

Preferred

Name

FT-0080874

Role

alias

Source

SymMap_v2

Preferred

Name

FT-0080874

Role

alias

Source

TCMBank

Preferred

Name

Genisteine Alkaloid

Role

alias

Source

SymMap_v2

Preferred

Name

Genisteine Alkaloid

Role

alias

Source

HERB_v2

Preferred

Name

Genisteine Alkaloid

Role

alias

Source

itcmdb_public

Preferred

Name

Genisteine Alkaloid

Role

alias

Source

TCMBank

Preferred

Name

HMS2096L18

Role

alias

Source

TCMBank

Preferred

Name

HMS2096L18

Role

alias

Source

SymMap_v2

Preferred

Name

HPV1ED2WZQ

Role

alias

Source

HERB_v2

Preferred

Name

HPV1ED2WZQ

Role

alias

Source

itcmdb_public

Preferred

Name

IDI1_000631

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15-/m0/s

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15-/m0/s

Role

alias

Source

SymMap_v2

Preferred

Name

Isosparteine

Role

alias

Source

itcmdb_public

Preferred

Name

Isosparteine

Role

alias

Source

HERB_v2

Preferred

Name

KB-209108

Role

alias

Source

TCMBank

Preferred

Name

KB-209108

Role

alias

Source

SymMap_v2

Preferred

Name

KBio1_000631

Role

alias

Source

TCMBank

Preferred

Name

KS-00000OBL

Role

alias

Source

SymMap_v2

Preferred

Name

KS-00000OBL

Role

alias

Source

TCMBank

Preferred

Name

L-SPARTEINE

Role

alias

Source

TCMBank

Preferred

Name

L-SPARTEINE

Role

alias

Source

itcmdb_public

Preferred

Name

L-SPARTEINE

Role

alias

Source

SymMap_v2

Preferred

Name

L-SPARTEINE

Role

alias

Source

HERB_v2

Preferred

Name

Lupinidin

Role

alias

Source

TCMBank

Preferred

Name

Lupinidin

Role

alias

Source

HERB_v2

Preferred

Name

Lupinidin

Role

alias

Source

SymMap_v2

Preferred

Name

Lupinidin

Role

alias

Source

itcmdb_public

Preferred

Name

MFCD00869353

Role

alias

Source

HERB_v2

Preferred

Name

MFCD00869353

Role

alias

Source

itcmdb_public

Preferred

Name

MLS000028889

Role

alias

Source

SymMap_v2

Preferred

Name

MLS000028889

Role

alias

Source

TCMBank

Preferred

Name

MLS002207055

Role

alias

Source

TCMBank

Preferred

Name

MLS002207055

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00016346-01

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00016346-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00142614-01

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00142614-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00181124-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00181124-02

Role

alias

Source

SymMap_v2

Preferred

Name

NINDS_000631

Role

alias

Source

TCMBank

Preferred

Name

NSC376144 (SULFATE)

Role

alias

Source

TCMBank

Preferred

Name

Prestwick3_000618

Role

alias

Source

TCMBank

Preferred

Name

Prestwick3_000618

Role

alias

Source

SymMap_v2

Preferred

Name

Prestwick_426

Role

alias

Source

TCMBank

Preferred

Name

Prestwick_426

Role

alias

Source

SymMap_v2

Preferred

Name

RL05684

Role

alias

Source

SymMap_v2

Preferred

Name

RL05684

Role

alias

Source

TCMBank

Preferred

Name

SBB012438

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL79043

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL79043

Role

alias

Source

SymMap_v2

Preferred

Name

SLRCCWJSBJZJBV-ZQDZILKHSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

SLRCCWJSBJZJBV-ZQDZILKHSA-N

Role

alias

Source

TCMBank

Preferred

Name

SMR000059203

Role

alias

Source

TCMBank

Preferred

Name

SMR000059203

Role

alias

Source

SymMap_v2

Preferred

Name

ST24033390

Role

alias

Source

TCMBank

Preferred

Name

ST24033390

Role

alias

Source

SymMap_v2

Preferred

Name

Spartein

Role

alias

Source

TCMBank

Preferred

Name

Spartein

Role

alias

Source

itcmdb_public

Preferred

Name

Spartein

Role

alias

Source

HERB_v2

Preferred

Name

Spartein

Role

alias

Source

SymMap_v2

Preferred

Name

Sparteina

Role

alias

Source

SymMap_v2

Preferred

Name

Sparteina

Role

alias

Source

TCMBank

Preferred

Name

Sparteina [DCIT]

Role

alias

Source

TCMBank

Preferred

Name

Sparteina [DCIT]

Role

alias

Source

SymMap_v2

Preferred

Name

Sparteine

Role

alias

Source

HERB_v2

Preferred

Name

Sparteine

Role

alias

Source

SymMap_v2

Preferred

Name

Sparteine (-)

Role

alias

Source

TCMBank

Preferred

Name

Sparteine (6CI,8CI)

Role

alias

Source

SymMap_v2

Preferred

Name

Sparteine (6CI,8CI)

Role

alias

Source

TCMBank

Preferred

Name

Sparteine [INN]

Role

alias

Source

TCMBank

Preferred

Name

Sparteine [INN]

Role

alias

Source

SymMap_v2

Preferred

Name

Sparteine, d-isomer

Role

alias

Source

itcmdb_public

Preferred

Name

Sparteine, d-isomer

Role

alias

Source

TCMBank

Preferred

Name

Sparteine, d-isomer

Role

alias

Source

HERB_v2

Preferred

Name

Sparteinum

Role

alias

Source

SymMap_v2

Preferred

Name

Sparteinum

Role

alias

Source

TCMBank

Preferred

Name

Sparteinum [INN-Latin]

Role

alias

Source

TCMBank

Preferred

Name

Sparteinum [INN-Latin]

Role

alias

Source

SymMap_v2

Preferred

Name

TL8005816

Role

alias

Source

TCMBank

Preferred

Name

TL8005816

Role

alias

Source

SymMap_v2

Preferred

Name

Tocosamine (Sulfate pentahydrate)

Role

alias

Source

TCMBank

Preferred

Name

Tox21_110386

Role

alias

Source

TCMBank

Preferred

Name

Tox21_110386

Role

alias

Source

SymMap_v2

Preferred

Name

Tox21_110386_1

Role

alias

Source

TCMBank

Preferred

Name

Tox21_110386_1

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-298897D62S

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-298897D62S

Role

alias

Source

TCMBank

Preferred

Name

UNII-HPV1ED2WZQ

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-HPV1ED2WZQ

Role

alias

Source

HERB_v2

Preferred

Name

ZINC1408502

Role

alias

Source

SymMap_v2

Preferred

Name

ZINC1408502

Role

alias

Source

TCMBank

Preferred

Name

[7S-(7alpha,7aalpha,14alpha,14abeta)]-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine

Role

alias

Source

TCMBank

Preferred

Name

[7S-(7alpha,7aalpha,14alpha,14abeta)]-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine

Role

alias

Source

SymMap_v2

Preferred

Name

d-Sparteine

Role

alias

Source

itcmdb_public

Preferred

Name

d-Sparteine

Role

alias

Source

TCMBank

Preferred

Name

d-Sparteine

Role

alias

Source

HERB_v2

Preferred

Name

lupinidine

Role

alias

Source

SymMap_v2

Preferred

Name

lupinidine

Role

alias

Source

TCMBank

Preferred

Name

pachycarpine

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Beta-IsosparteineLupinidinePachycarpine野决明黄羽扇豆; 白屈菜;金雀儿; 牧马豆HUANG YU SHAN DOU; BAI QU CAI; JIN QUE ER; MU MA DOUYE JUE MINGWild ThermopsisYellow Lupin; Chelidonii Herba; Scotch Broom; Lanceleaf Thermopsis(-)-Lupinidine(-)-Sparteine(-)-Sparteine sulfate salt(-)-Sparteine, >=98.0% (GC)(-)-beta-Isosparteine(1S,2S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane(6''R'',8''S'',10''R'',12''S'')-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane(7R-(7alpha,7aalpha,14alpha,14abeta))-Dodecahydro-7,14-methano-2H,6H-dipyrido (1,2-a:1',2'-e)(1,5)diazocine(7S,7aR,14S,14aS)-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine(7S,7aR,14S,14aS)-Tetradecahydro-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine(7S,7aS,14S,14aR)-dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine.beta.-Isosparteine24915-04-6298897D62S299-39-8 (SULFATE)446-95-7492-08-05-23-05-00497 (Beilstein Handbook Reference)6-alpha,7-beta,9-beta,11-beta-Sparteine6-beta,7-alpha,9-alpha,11-alpha-Pachycarpine6160-12-9 (SULFATE PENTAHYDRATE)6beta,7alpha,9alpha,11alpha-Pachycarpine7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, decahydro-, (7R,7aR,14R,14aS)-7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7aalpha,14alpha,14abeta))-7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7abeta,14alpha,14abeta))-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, (7S,7aR,14S,14aS)-90-39-190-39-1(FREE BASE )AC1LD8G5AC1LVZQYAIDS002701AJ-67273AK122435AKOS016012217Alkyl PolyglucosideAlkylamphopropionateAmbotz90-39-1BPBio1_000612BRN 3540601BSPBio_000556C10783CAS-90-39-1CHEBI:28827CHEMBL1908847CS-W012901DSSTox_CID_3591DSSTox_GSID_23591DSSTox_RID_77098Depasan (Sulfate pentahydrate)DivK1c_000631Dodecahydro-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine (7S-(7alpha,7abeta,14alpha,14abeta))-EBD2202131EINECS 201-988-8EsparteinaEsparteina [INN-Spanish]FT-0080874Genisteine AlkaloidHMS2096L18HPV1ED2WZQIDI1_000631InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11HInChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15-/m0/sIsosparteineKB-209108KBio1_000631KS-00000OBLL-SPARTEINELupinidinMFCD00869353MLS000028889MLS002207055NCGC00016346-01NCGC00142614-01NCGC00181124-02NINDS_000631NSC376144 (SULFATE)Prestwick3_000618Prestwick_426RL05684SBB012438SCHEMBL79043SLRCCWJSBJZJBV-ZQDZILKHSA-NSMR000059203ST24033390SparteinSparteinaSparteina [DCIT]Sparteine (-)Sparteine (6CI,8CI)Sparteine [INN]Sparteine, d-isomerSparteinumSparteinum [INN-Latin]TL8005816Tocosamine (Sulfate pentahydrate)Tox21_110386Tox21_110386_1UNII-298897D62SUNII-HPV1ED2WZQZINC1408502[7S-(7alpha,7aalpha,14alpha,14abeta)]-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocined-Sparteine

Cross References

Trusted external identifiers retained for this final record.

Cas

24915-04-6492-08-0

Herb

HBIN018170HBIN033763HBIN038552HBIN044467

Npass

NPC153698NPC243635

Tcmid

1648320117

Tcmsp

MOL000506MOL001475

Sym Map

SMIT03093SMIT03884SMIT17769

Tcm Id

13646136471592518816188172394423945866

Pub Chem

1033161516212687168213396664402064521277014

Tcmbank

TCMBANKIN000635TCMBANKIN006531TCMBANKIN053433TCMBANKIN056858TCMBANKIN058625

Drug Bank

DB14755

Etcm Ingredient

LupinidineSparteine

Itcmdb Generated

ITX-INGREDIENT-56C21C475828ITX-INGREDIENT-AC169E761DB2ITX-INGREDIENT-B20500E8B746ITX-INGREDIENT-FAD2A64B8A8D

Attributes

Merged source attributes and domain-specific metadata.

2.27835

1.52789

1.57072

Bic

0.52716

Cic

1.80911

Phi

2.69366

Sic

0.55739

Log D

0.802

Sc 0

Sc 1

Sc 2

Type

Other ingredients

Alog P

2.363

Chi 0

11.2423

Chi 1

8.41581

Chi 2

7.64404

In Ch I

InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15-/m0/s1

Mol Wt

234.3869999999999

Pmi X

52.510358.8006

Cas Id

24915-04-6

Energy

25.5867.22

Sc 3 C

Sc 3 P

Smiles

C1([H])([H])C([H])([H])[C@@]([H])([C@]([H])(C([H])([H])N2[C@]3([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[C@@]3([H])C4([H])[H])N4C([H])([H])C1([H])[H]C1([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C2([H])[H])[C@@]23[H])C([H])([H])[C@]3([H])C4([H])[H])N4C([H])([H])C1([H])[H]C1CCN2CC3CC(C2C1)CN4C3CCCC4

Zagreb

Chi 3 C

0.93883

Chi 3 P

6.96323

Chi V 0

10.982

Chi V 1

7.89746

Chi V 2

6.87199

Kappa 1

10.88

Kappa 2

4.28061

Kappa 3

1.77777

Mol Log P

2.3451

Sc 3 Ch

Version

v1,v2

Alog P Mr

71.821

Chi 3 Ch

Dipole X

0.015310.02128

Dipole Y

-0.097880.03628

Dipole Z

0.061540.1257

Iac Mean

1.17475

In Ch Ikey

SLRCCWJSBJZJBV-AJNGGQMLSA-NSLRCCWJSBJZJBV-TUVASFSCSA-NSLRCCWJSBJZJBV-ZQDZILKHSA-N

Is Chiral

Ob Score

59.8136079859.81360859.81461.89161.89135661.8913563

Suppress

Tcm Name

野决明黄羽扇豆; 白屈菜;金雀儿; 牧马豆

Admet Bbb

0.47

Chi V 3 C

0.80235

Chi V 3 P

5.9603

Es Sum D O

Es Sum T N

E Adj Equ

238.874

E Adj Mag

339.763

Hba Count

Hbd Count

Iac Total

50.5146

Jurs Rasa

0.98770.99143

Jurs Rncg

0.32373

Jurs Rncs

0.49564

Jurs Rpcg

0.41376

Jurs Rpcs

4.097364.69697

Jurs Rpsa

0.008560.01229

Jurs Sasa

383.201391.495

Jurs Tasa

379.921386.683

Jurs Tpsa

3.280774.8118

Num Atoms

Num Bonds

Num Rings

Shadow Xy

57.719862.1421

Shadow Xz

45.27646.6296

Shadow Yz

27.127530.2761

Shadow Nu

1.88282.13261

Tcm Name2

HUANG YU SHAN DOU; BAI QU CAI; JIN QUE ER; MU MA DOUYE JUE MING

V Adj Equ

167.636

V Adj Mag

212.877

Mol2 Path

/TCM_database/2003_3d_all/6561.mol2/TCM_database/2003_3d_all/7841.mol2

Reference

66, 658, 5507

Chi V 3 Ch

Dipole Mag

0.073060.16073

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

Es Sum Ss O

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

10.8071

Kappa 2 Am

4.23725

Kappa 3 Am

1.75541

Num Hdonors

Num Chains

Num Rings3

Num Rings4

Num Rings5

Num Rings6

Num Rings7

Num Rings8

Es Count D O

Es Count T N

Es Sum Aa Ch

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

Es Sum Aas N

Es Sum D Ch2

Es Sum Dds N

Es Sum Ds Ch

Es Sum Dss C

Es Sum S Ch3

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

Es Sum Sss N

5.738

Jurs Dpsa 1

-224.359-260.506

Jurs Dpsa 3

11.751611.9024

Jurs Fnsa 1

0.786540.8399

Jurs Fnsa 2

-0.72796-0.77735

Jurs Fnsa 3

-0.02925-0.02968

Jurs Fpsa 1

0.160090.21345

Jurs Fpsa 2

0.005290.00705

Jurs Fpsa 3

0.000980.00115

Jurs Pnsa 1

307.927321.854

Jurs Pnsa 2

-284.991-297.88

Jurs Pnsa 3

-11.3726-11.4496

Jurs Ppsa 1

61.347783.5681

Jurs Ppsa 3

0.378980.45281

Jurs Wnsa 1

120.552123.335

Jurs Wnsa 2

-111.573-114.148

Jurs Wnsa 3

-4.358-4.48245

Jurs Wpsa 1

23.508532.7165

Jurs Wpsa 3

0.145220.17727

Num Pi Bonds

Tcm Name En

Wild Thermopsis Yellow Lupin; Chelidonii Herba; Scotch Broom; Lanceleaf Thermopsis

Admet Psa 2 D

6.704

Es Count Aa N

Es Count Aa O

Es Count D Nh

Es Count Dd C

Es Count Ds N

Es Count S Oh

Es Count Ss O

Es Count T Ch

Es Count Ts C

Es Sum Ss Ch2

16.138

Es Sum Ss Nh2

Es Sum Sss Ch

3.955

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

2.363

Admet Ext Ppb

-2.26552

Drug Likeness

0.635

Es Count Aa Ch

Es Count Aa Nh

Es Count Aaa C

Es Count Aas C

Es Count Aas N

Es Count D Ch2

Es Count Dds N

Es Count Ds Ch

Es Count Dss C

Es Count S Ch3

Es Count S Nh2

Es Count S Nh3

Es Count Ss Nh

Es Count Sss N

Es Sum Sssss P

Num Hacceptors

Num Fragments

Num Hydrogens

Num Ring Bonds

Organic Count

Rad Of Gyration

2.401652.48026

Shadow Xyfrac

0.725120.7377

Shadow Xzfrac

0.661840.67043

Shadow Yzfrac

0.686780.71612

Strain Energy

11.2352.73

Es Count Ss Ch2

Es Count Ss Nh2

Es Count Sss Ch

Es Count Sss Nh

Es Count Ssss C

Es Count Ssss N

Molecular Mass

234.21

Molecular Sasa

438.585

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

11.517412.0008

Shadow Ylength

6.911287.01926

Shadow Zlength

5.627296.11716

Admet Bbb Level

Isomeric Smiles

C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@H]3CCCC4C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4

Molecular Savol

371.55

Molecule Weight

234.43

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

3.0303

Admet Solubility

-3.947

Canonical Smiles

C1CCN2CC3CC(C2C1)CN4C3CCCC4

Herb Alias Names

Isosparteine24915-04-6(-)-Sparteine(-)-beta-IsosparteineHPV1ED2WZQ.beta.-Isosparteine90-39-1(1S,2S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecaneUNII-HPV1ED2WZQ

Minimized Energy

14.3514.49

Molecular Weight

234.210

Molecular Volume

212.31213

Molecular Weight

234.38234.38 g/mol

Num Macro Chains

Molecular Formula

C15H26N2

Molecular Formula

C15H26N2

Molecular Formula

C15H26N2

Num Rotatable Bonds

Num Aromatic Bonds

Num Aromatic Rings

Num Explicit Atoms

Num Explicit Bonds

Num Negative Atoms

Num Positive Atoms

Num Macro Residues

Num Ring Assemblies

Num Rotatable Bonds

Molecular Polar Sasa

6.90159

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

-1.725

Admet Ext Hepatotoxic

-5.40552

Admet Unknown Alog P98

Molecular Surface Area

239.37

Num Explicit Hydrogens

Num H Donors Lipinski

Num Pseudo Stereo Atoms

Admet Absorption Level

Admet Solubility Level

Admet Ext Ppb#Prediction

Num H Acceptors Lipinski

Molecular Polar Surface Area

6.48

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.015

Admet Ext Ppb Applicability#Md

9.33953

Fda Maximum Daily Dose (Fdamdd)

0.1200.237

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

11.8144

Admet Ext Ppb Applicability#Mdpvalue

0.987212

Molecular Fractional Polar Surface Area

0.027

Admet Ext Hepatotoxic Applicability#Md

6.0747

Admet Ext Cyp2 D6 Applicability#Mdpvalue

0.00438

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.999971

Quantitative Estimate Of Drug Likeness（Qed）

0.635