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Molecule Identifiers
Molecular Properties

ID: 47335

SMILES:
c1(CCCCCC)cc2c(c(O)c1C)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -14.653

InChIKey:
MGBWMCRCMNMFJA-UHFFFAOYSA-N

ID: 47336

SMILES:
CC1(C)Oc2ccc(CCC)cc2C2CC(=CCC=C(C)C)C(O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.448

InChIKey:
PSKUSBDNJGRQOF-UHFFFAOYSA-N

ID: 47337

SMILES:
Cc1c(CCC(C(O)=O)CCCC(C)=CC2Oc3c(c(O)cc(C)c3)C2)c(C=O)c(O)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.546

CB1 binding score: -13.552

InChIKey:
RWJQDRPUQGMAMP-UHFFFAOYSA-N

ID: 47338

SMILES:
C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.046

InChIKey:
MXECOWWPQRFPTG-UHFFFAOYSA-N

ID: 47339

SMILES:
C(=CCOc1cc(CCCCC)cc(O)c1)(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.28

InChIKey:
UHNGDHVOGKMKHT-UHFFFAOYSA-N

ID: 47340

SMILES:
C(Cc1c2c(c(O)cc1O)CC1(O2)C(C)(C)CCC=C1C)CC(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.341

InChIKey:
JRMMFBQUTBNIOI-UHFFFAOYSA-N

ID: 47341

SMILES:
C1C(CO)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.828

InChIKey:
FZEUVBDOPAEUDC-UHFFFAOYSA-N

ID: 47342

SMILES:
c1cc(CCCc2ccccc2)c2c(c1C)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.541

CB1 binding score: -15.806

InChIKey:
AZSHFMRMJHQKJV-UHFFFAOYSA-N

ID: 47343

SMILES:
c1(C23C(C(O)C2)C(C(C)(C)O)CCC(C)=C3)c(O)cc(O)c(CC=C(CCC=C(C)C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.65

CB1 binding score: -14.355

InChIKey:
PPFRTKOFMYRVQC-UHFFFAOYSA-N

ID: 47344

SMILES:
CC(C)=CCc1c(O)c(CC=C(C)CCC=C(CO)C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.846

InChIKey:
XCFMIWIAGQOTGF-UHFFFAOYSA-N

ID: 47345

SMILES:
C(C)(C)C1CC=C2C3CCC(C)C3CCC2(C)Oc2c(c(O)cc(CCCCC)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -8.843

InChIKey:
XZXPOPPZWJOXNC-UHFFFAOYSA-N

ID: 47346

SMILES:
O1C2CC3(OCC(C)=CC3c3c(O)cc(CCCCC)cc3O2)CCC1(O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.106

InChIKey:
IYUWZANJKRNCEK-UHFFFAOYSA-N

ID: 47347

SMILES:
CC1(CCC=C(C)C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -17.11

InChIKey:
YGCGUHHJEYUEEA-UHFFFAOYSA-N

ID: 47348

SMILES:
C(CCCC)c1ccc2c(c1O)C1C(C(C)(C)O2)C(OC(C)=O)CC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -14.063

InChIKey:
ATPJQTLXQWDSHZ-UHFFFAOYSA-N

ID: 47349

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)(O)C12)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.381

InChIKey:
MXWHHQBUHJXLCT-UHFFFAOYSA-N

ID: 47350

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CCC(O)(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 47351

SMILES:
C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CNCCC(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 361.482

CB1 binding score: -18.135

InChIKey:
JUQJWSOHKYAPRO-UHFFFAOYSA-N

ID: 47352

SMILES:
C(=C(CCC=C(C)C)C)Cc1c(O)c(C(OC)=O)c(CCCCC)c(O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -16.349

InChIKey:
NQHPCKANHGPLFT-UHFFFAOYSA-N

ID: 47353

SMILES:
OC1C2c3c(cc(C(C)(C)C)c(O)c3O)OC1C(C)=C2CC(O)C=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -14.818

InChIKey:
LOEPOXRMROOHNC-UHFFFAOYSA-N

ID: 47354

SMILES:
c1c(O)c2c(c3c1OC(C(=C)C3)CC(=O)C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.473

CB1 binding score: -16.273

InChIKey:
GNWCKBURGGONPY-UHFFFAOYSA-N

ID: 47355

SMILES:
C(O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

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47335–47355 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties