IngredientID 59751

O972

C38H42N2O6

Relationship Network

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Ingredient: 1Target: 12Links: 12

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 59751
Core Entity Id: 102762
Source Entity Count: 1
Preferred Name: O972
Name En
Pubchem Id: 73078
Smiles Canonical: COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3
Molecular Formula: C38H42N2O6
Molecular Weight: 622.7000
Inchikey: WVTKBKWTSCPRNU-KYJUHHDHSA-N
Inchi: InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
Isomeric Smiles
Cas Id: 518-34-3
Ob Score: 26.6397
Mol Logp: 6.4000
Num H Donors: 0
Num H Acceptors: 8
Num Rotatable Bonds: 4
Drug Likeness
Polar Surface Area: 61.9000
Molecular Volume
Alogp

Names

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

Name

(+/-)-Tetrandine

Role

alias

Source

TCMBank

Preferred

Name

(11S,31S)-16,36,37,54-tetramethoxy-12,32-dimethyl-11,12,13,14,31,32,33,34-octahydro-2,6-dioxa-1(7,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane

Role

alias

Source

TCMBank

Preferred

Name

(1S,14S)-9,20,21,25-TETRAMETHOXY-15,30-DIMETHYL-7,23-DIOXA-15,30-DIAZAHEPTACYCLO[22.6.2.2_,?.1?,__.1_?,_?.0_?,__.0__,__]HEXATRIACONTA-3,5,8(34),9,11,18(33),19,21,24,26,31,35-DODECAENE

Role

alias

Source

TCMBank

Preferred

Name

(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyc lo[22.6.2.2.1.1.0.0]hexatriaconta-3(33),4,6(34 ),8(35),9,11,18(36),19,21,24,26,31-dodecae

Role

alias

Source

TCMBank

Preferred

Name

(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyc lo[22.6.2.2.1.1.0.0]hexatriaconta-3(33),4,6(34 ),8(35),9,11,18(36),19,21,24,26,31-dodecaene

Role

alias

Source

TCMBank

Preferred

Name

(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24,26,31,35-dodecaene

Role

alias

Source

TCMBank

Preferred

Name

(1beta)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman

Role

alias

Source

TCMBank

Preferred

Name

(S,S)-(+)-Tetrandrine

Role

alias

Source

TCMBank

Preferred

Name

16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-, (4aS,16aS)-

Role

alias

Source

TCMBank

Preferred

Name

2-27-00-00889 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

23495-89-8

Role

alias

Source

TCMBank

Preferred

Name

29EX23D5AJ

Role

alias

Source

TCMBank

Preferred

Name

365629_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

518-34-3

Role

alias

Source

TCMBank

Preferred

Name

518T343

Role

alias

Source

TCMBank

Preferred

Name

6,6',7,12-tetramethoxy-2,2'-dimethyl-1 beta-berbaman

Role

alias

Source

TCMBank

Preferred

Name

6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline

Role

alias

Source

TCMBank

Preferred

Name

6-methoxy-2-methyl-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline

Role

alias

Source

TCMBank

Preferred

Name

607379-81-7

Role

alias

Source

TCMBank

Preferred

Name

6490-80-8

Role

alias

Source

TCMBank

Preferred

Name

916770-74-6

Role

alias

Source

TCMBank

Preferred

Name

A828808

Role

alias

Source

TCMBank

Preferred

Name

AB0016761

Role

alias

Source

TCMBank

Preferred

Name

AB00513883

Role

alias

Source

TCMBank

Preferred

Name

AC-7987

Role

alias

Source

TCMBank

Preferred

Name

AC1L2J88

Role

alias

Source

TCMBank

Preferred

Name

AC1Q58EO

Role

alias

Source

TCMBank

Preferred

Name

AIDS-027689

Role

alias

Source

TCMBank

Preferred

Name

AIDS-032943

Role

alias

Source

TCMBank

Preferred

Name

AKOS004119881

Role

alias

Source

TCMBank

Preferred

Name

AN-8470

Role

alias

Source

TCMBank

Preferred

Name

AS-15343

Role

alias

Source

TCMBank

Preferred

Name

BBL029400

Role

alias

Source

TCMBank

Preferred

Name

BB_NC-1040

Role

alias

Source

TCMBank

Preferred

Name

BCP0726000284

Role

alias

Source

TCMBank

Preferred

Name

BG00889113

Role

alias

Source

TCMBank

Preferred

Name

BPBio1_000813

Role

alias

Source

TCMBank

Preferred

Name

BRD-8237

Role

alias

Source

TCMBank

Preferred

Name

BRD-K08078237-001-07-3

Role

alias

Source

TCMBank

Preferred

Name

BRN 0877811

Role

alias

Source

TCMBank

Preferred

Name

BSPBio_000739

Role

alias

Source

TCMBank

Preferred

Name

BSPBio_001479

Role

alias

Source

TCMBank

Preferred

Name

BSPBio_002297

Role

alias

Source

TCMBank

Preferred

Name

Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (1-beta)- (9CI)

Role

alias

Source

TCMBank

Preferred

Name

Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (1.beta.)-

Role

alias

Source

TCMBank

Preferred

Name

Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1.beta.)-(PM)-

Role

alias

Source

TCMBank

Preferred

Name

Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1beta)-(+-)-

Role

alias

Source

TCMBank

Preferred

Name

Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1beta)-(PM)- (9CI)

Role

alias

Source

TCMBank

Preferred

Name

Berbaman,6',7,12-tetramethoxy-2,2'-dimethyl-, (1.beta.)-

Role

alias

Source

TCMBank

Preferred

Name

Berbaman,6',7,12-trtramethoxy-2,2'-dimethyl-, (1.beta.)-(PM)-

Role

alias

Source

TCMBank

Preferred

Name

Bio1_000200

Role

alias

Source

TCMBank

Preferred

Name

Bio1_000689

Role

alias

Source

TCMBank

Preferred

Name

Bio1_001178

Role

alias

Source

TCMBank

Preferred

Name

Bio2_000199

Role

alias

Source

TCMBank

Preferred

Name

Bio2_000679

Role

alias

Source

TCMBank

Preferred

Name

C09654

Role

alias

Source

TCMBank

Preferred

Name

C38H42N2O6

Role

alias

Source

TCMBank

Preferred

Name

CBiol_001914

Role

alias

Source

TCMBank

Preferred

Name

CCG-38342

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 2705

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:49

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL176045

Role

alias

Source

TCMBank

Preferred

Name

CS-0007782

Role

alias

Source

TCMBank

Preferred

Name

D-Tetrandrine

Role

alias

Source

TCMBank

Preferred

Name

D0AN2Q

Role

alias

Source

TCMBank

Preferred

Name

D0G4ES

Role

alias

Source

TCMBank

Preferred

Name

DL-Tetandrine

Role

alias

Source

TCMBank

Preferred

Name

DL-Tetrandine

Role

alias

Source

TCMBank

Preferred

Name

DTXSID10178062

Role

alias

Source

TCMBank

Preferred

Name

DivK1c_006757

Role

alias

Source

TCMBank

Preferred

Name

FF-0019

Role

alias

Source

TCMBank

Preferred

Name

Fanchinine

Role

alias

Source

TCMBank

Preferred

Name

HMS1361J21

Role

alias

Source

TCMBank

Preferred

Name

HMS1570E21

Role

alias

Source

TCMBank

Preferred

Name

HMS1791J21

Role

alias

Source

TCMBank

Preferred

Name

HMS1989J21

Role

alias

Source

TCMBank

Preferred

Name

HMS2097E21

Role

alias

Source

TCMBank

Preferred

Name

HMS2232C06

Role

alias

Source

TCMBank

Preferred

Name

HMS3402J21

Role

alias

Source

TCMBank

Preferred

Name

HSCI1_000014

Role

alias

Source

TCMBank

Preferred

Name

HY-13764

Role

alias

Source

TCMBank

Preferred

Name

Hanfangchin A

Role

alias

Source

TCMBank

Preferred

Name

IDI1_033949

Role

alias

Source

TCMBank

Preferred

Name

KBio1_001701

Role

alias

Source

TCMBank

Preferred

Name

KBio2_000199

Role

alias

Source

TCMBank

Preferred

Name

KBio2_000795

Role

alias

Source

TCMBank

Preferred

Name

KBio2_002767

Role

alias

Source

TCMBank

Preferred

Name

KBio2_003363

Role

alias

Source

TCMBank

Preferred

Name

KBio2_005335

Role

alias

Source

TCMBank

Preferred

Name

KBio2_005931

Role

alias

Source

TCMBank

Preferred

Name

KBio3_000397

Role

alias

Source

TCMBank

Preferred

Name

KBio3_000398

Role

alias

Source

TCMBank

Preferred

Name

KBio3_001517

Role

alias

Source

TCMBank

Preferred

Name

KBioGR_000199

Role

alias

Source

TCMBank

Preferred

Name

KBioGR_001178

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_000199

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_000795

Role

alias

Source

TCMBank

Preferred

Name

LS-148949

Role

alias

Source

TCMBank

Preferred

Name

MCULE-2548279289

Role

alias

Source

TCMBank

Preferred

Name

MFCD08689909

Role

alias

Source

TCMBank

Preferred

Name

MLS000728516

Role

alias

Source

TCMBank

Preferred

Name

MLS002153946

Role

alias

Source

TCMBank

Preferred

Name

MolPort-000-763-034

Role

alias

Source

TCMBank

Preferred

Name

NCGC00017376-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00017376-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00017376-04

Role

alias

Source

TCMBank

Preferred

Name

NCGC00017376-05

Role

alias

Source

TCMBank

Preferred

Name

NCGC00017376-06

Role

alias

Source

TCMBank

Preferred

Name

NCGC00017376-10

Role

alias

Source

TCMBank

Preferred

Name

NCGC00142549-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00142549-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00142549-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00142549-04

Role

alias

Source

TCMBank

Preferred

Name

NCGC00182717-01

Role

alias

Source

TCMBank

Preferred

Name

NCI60_041696

Role

alias

Source

TCMBank

Preferred

Name

NCI60_042029

Role

alias

Source

TCMBank

Preferred

Name

NSC77037

Role

alias

Source

TCMBank

Preferred

Name

NSC91771

Role

alias

Source

TCMBank

Preferred

Name

O972

Role

alias

Source

TCMBank

Preferred

Name

Prestwick0_000670

Role

alias

Source

TCMBank

Preferred

Name

Prestwick1_000670

Role

alias

Source

TCMBank

Preferred

Name

Prestwick2_000670

Role

alias

Source

TCMBank

Preferred

Name

Prestwick3_000670

Role

alias

Source

TCMBank

Preferred

Name

Q-100580

Role

alias

Source

TCMBank

Preferred

Name

S-(+)-Tetrandrine

Role

alias

Source

TCMBank

Preferred

Name

S2403

Role

alias

Source

TCMBank

Preferred

Name

SC-14047

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL20119

Role

alias

Source

TCMBank

Preferred

Name

SDCCGMLS-0066758.P001

Role

alias

Source

TCMBank

Preferred

Name

SMR000445630

Role

alias

Source

TCMBank

Preferred

Name

SPBio_000089

Role

alias

Source

TCMBank

Preferred

Name

SPBio_002660

Role

alias

Source

TCMBank

Preferred

Name

SPECTRUM1504185

Role

alias

Source

TCMBank

Preferred

Name

SR-01000779899

Role

alias

Source

TCMBank

Preferred

Name

SR-01000779899-5

Role

alias

Source

TCMBank

Preferred

Name

SR-01000779899-6

Role

alias

Source

TCMBank

Preferred

Name

SR-01000779899-7

Role

alias

Source

TCMBank

Preferred

Name

SR-01000779899-9

Role

alias

Source

TCMBank

Preferred

Name

ST057602

Role

alias

Source

TCMBank

Preferred

Name

STK801908

Role

alias

Source

TCMBank

Preferred

Name

Sinomenine A

Role

alias

Source

TCMBank

Preferred

Name

SpecPlus_000661

Role

alias

Source

TCMBank

Preferred

Name

Spectrum2_000025

Role

alias

Source

TCMBank

Preferred

Name

Spectrum3_000659

Role

alias

Source

TCMBank

Preferred

Name

Spectrum4_000619

Role

alias

Source

TCMBank

Preferred

Name

Spectrum5_001366

Role

alias

Source

TCMBank

Preferred

Name

Spectrum_000315

Role

alias

Source

TCMBank

Preferred

Name

T2695_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

TETRANDRINE, (DL)

Role

alias

Source

TCMBank

Preferred

Name

Tetrandrin

Role

alias

Source

TCMBank

Preferred

Name

Tetrandrine

Role

alias

Source

TCMBank

Preferred

Name

Tetrandrine (Fanchinine)

Role

alias

Source

TCMBank

Preferred

Name

Tetrandrine, European Pharmacopoeia (EP) Reference Standard

Role

alias

Source

TCMBank

Preferred

Name

Tetrandrine, Millenia Hope

Role

alias

Source

TCMBank

Preferred

Name

Tetrandrine, West Virginia University

Role

alias

Source

TCMBank

Preferred

Name

Tetrandrine, analytical standard, for drug analysis

Role

alias

Source

TCMBank

Preferred

Name

Tranex-18

Role

alias

Source

TCMBank

Preferred

Name

UNII-29EX23D5AJ

Role

alias

Source

TCMBank

Preferred

Name

W-2768

Role

alias

Source

TCMBank

Preferred

Name

WVTKBKWTSCPRNU-KYJUHHDHSA-N

Role

alias

Source

TCMBank

Preferred

Name

ZINC28116057

Role

alias

Source

TCMBank

Preferred

Name

d-Tetrandr

Role

alias

Source

TCMBank

Preferred

Name

dihydrate

Role

alias

Source

TCMBank

Preferred

Name

hanjisong

Role

alias

Source

TCMBank

Preferred

Name

iso-tetrandrine

Role

alias

Source

TCMBank

Preferred

Name

tetradrine

Role

alias

Source

TCMBank

Preferred

Name

tetramethoxy(dimethyl)[?]

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(+/-)-Tetrandine(11S,31S)-16,36,37,54-tetramethoxy-12,32-dimethyl-11,12,13,14,31,32,33,34-octahydro-2,6-dioxa-1(7,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane(1S,14S)-9,20,21,25-TETRAMETHOXY-15,30-DIMETHYL-7,23-DIOXA-15,30-DIAZAHEPTACYCLO[22.6.2.2_,?.1?,__.1_?,_?.0_?,__.0__,__]HEXATRIACONTA-3,5,8(34),9,11,18(33),19,21,24,26,31,35-DODECAENE(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyc lo[22.6.2.2.1.1.0.0]hexatriaconta-3(33),4,6(34 ),8(35),9,11,18(36),19,21,24,26,31-dodecae(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyc lo[22.6.2.2.1.1.0.0]hexatriaconta-3(33),4,6(34 ),8(35),9,11,18(36),19,21,24,26,31-dodecaene(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24,26,31,35-dodecaene(1beta)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman(S,S)-(+)-Tetrandrine16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-, (4aS,16aS)-2-27-00-00889 (Beilstein Handbook Reference)23495-89-829EX23D5AJ365629_ALDRICH518-34-3518T3436,6',7,12-tetramethoxy-2,2'-dimethyl-1 beta-berbaman6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline6-methoxy-2-methyl-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline607379-81-76490-80-8916770-74-6A828808AB0016761AB00513883AC-7987AC1L2J88AC1Q58EOAIDS-027689AIDS-032943AKOS004119881AN-8470AS-15343BBL029400BB_NC-1040BCP0726000284BG00889113BPBio1_000813BRD-8237BRD-K08078237-001-07-3BRN 0877811BSPBio_000739BSPBio_001479BSPBio_002297Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (1-beta)- (9CI)Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (1.beta.)-Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1.beta.)-(PM)-Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1beta)-(+-)-Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1beta)-(PM)- (9CI)Berbaman,6',7,12-tetramethoxy-2,2'-dimethyl-, (1.beta.)-Berbaman,6',7,12-trtramethoxy-2,2'-dimethyl-, (1.beta.)-(PM)-Bio1_000200Bio1_000689Bio1_001178Bio2_000199Bio2_000679C09654C38H42N2O6CBiol_001914CCG-38342CCRIS 2705CHEBI:49CHEMBL176045CS-0007782D-TetrandrineD0AN2QD0G4ESDL-TetandrineDL-TetrandineDTXSID10178062DivK1c_006757FF-0019FanchinineHMS1361J21HMS1570E21HMS1791J21HMS1989J21HMS2097E21HMS2232C06HMS3402J21HSCI1_000014HY-13764Hanfangchin AIDI1_033949KBio1_001701KBio2_000199KBio2_000795KBio2_002767KBio2_003363KBio2_005335KBio2_005931KBio3_000397KBio3_000398KBio3_001517KBioGR_000199KBioGR_001178KBioSS_000199KBioSS_000795LS-148949MCULE-2548279289MFCD08689909MLS000728516MLS002153946MolPort-000-763-034NCGC00017376-02NCGC00017376-03NCGC00017376-04NCGC00017376-05NCGC00017376-06NCGC00017376-10NCGC00142549-01NCGC00142549-02NCGC00142549-03NCGC00142549-04NCGC00182717-01NCI60_041696NCI60_042029NSC77037NSC91771Prestwick0_000670Prestwick1_000670Prestwick2_000670Prestwick3_000670Q-100580S-(+)-TetrandrineS2403SC-14047SCHEMBL20119SDCCGMLS-0066758.P001SMR000445630SPBio_000089SPBio_002660SPECTRUM1504185SR-01000779899SR-01000779899-5SR-01000779899-6SR-01000779899-7SR-01000779899-9ST057602STK801908Sinomenine ASpecPlus_000661Spectrum2_000025Spectrum3_000659Spectrum4_000619Spectrum5_001366Spectrum_000315T2695_SIGMATETRANDRINE, (DL)TetrandrinTetrandrineTetrandrine (Fanchinine)Tetrandrine, European Pharmacopoeia (EP) Reference StandardTetrandrine, Millenia HopeTetrandrine, West Virginia UniversityTetrandrine, analytical standard, for drug analysisTranex-18UNII-29EX23D5AJW-2768WVTKBKWTSCPRNU-KYJUHHDHSA-NZINC28116057d-Tetrandrdihydratehanjisongiso-tetrandrinetetradrinetetramethoxy(dimethyl)[?]

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN028783

Tcmid

24187

Sym Map

SMIT02038

Tcm Id

11125114731346113462146541465517024187291873018731187322060823726237273870

Tcmbank

TCMBANKIN061346

Attributes

Merged source attributes and domain-specific metadata.

Smiles

CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

Ob Score

26.639741

Molecular Weight

622.7 g/mol

Molecular Formula

C38H42N2O6