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Molecule Identifiers
Molecular Properties

ID: 116929

SMILES:
c1(O)c2c(cc(OC)c1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -17.514

InChIKey:
PADIWBOIDQMHSZ-UHFFFAOYSA-N

ID: 116930

SMILES:
C1(=O)OC(c2c(O)cc(CCCCC)cc2O)CC(C)(O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.374

CB1 binding score: -9.801

InChIKey:
GWMGDJKXQGDYLP-UHFFFAOYSA-N

ID: 116931

SMILES:
C1CC(C)=CC(c2c(O)cc(CCC)cc2OC)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 116932

SMILES:
c12c(c(O)c(OC)c(CCOC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -13.399

InChIKey:
WQWKAESSJBOMLD-UHFFFAOYSA-N

ID: 116933

SMILES:
c12cc(C)c[n+](C3CC(C)CCC3C(C)(C)O1)c2C(C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.482

CB1 binding score: -18.267

InChIKey:
UVTFGFZBXTVWSL-UHFFFAOYSA-N

ID: 116934

SMILES:
C(C)CCCc1cc2c(cc1O)OC1(C)C(C2)C(C)(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -14.773

InChIKey:
JZXJQXDOADLRSA-UHFFFAOYSA-N

ID: 116935

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(CC(O)C2C)C(C)(C)O1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.116

InChIKey:
ZTOYVBCKXBTKLK-UHFFFAOYSA-N

ID: 116936

SMILES:
C12C(CC=C1C)C(C)(C)Oc1c2c(O)c(C2CC(O)(C)C=CCC(C)=CC2)c(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -16.257

InChIKey:
MEQGBLREKGAYJJ-UHFFFAOYSA-N

ID: 116937

SMILES:
C12C(C=C(C)CC1)c1c(O)cc(CCCC(C)=O)c(C(O)=O)c1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -14.869

InChIKey:
UCKSZFOVPVIQEL-UHFFFAOYSA-N

ID: 116938

SMILES:
CC1(C)Oc2c(c(O)cc(C)c2)C1C=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 206.241

CB1 binding score: -15.89

InChIKey:
YCOBBDJPESSSCT-UHFFFAOYSA-N

ID: 116939

SMILES:
C1(C)(CCC=C(C)C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 116940

SMILES:
c12cc(OC)c(CCCCC)cc1OC(CO)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.605

InChIKey:
SQKJXTAGKWYKGA-UHFFFAOYSA-N

ID: 116941

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.488

InChIKey:
SHKSNSDRGOBIPR-UHFFFAOYSA-N

ID: 116942

SMILES:
Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -17.944

InChIKey:
GITSDXGASNCATJ-UHFFFAOYSA-N

ID: 116943

SMILES:
CC(=CCc1c(OC(=O)C)cc(CCCCC)cc1OC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.448

InChIKey:
BLHJFCSIQWXPFZ-UHFFFAOYSA-N

ID: 116944

SMILES:
CC(C)=C1CCC2(C)C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -12.542

InChIKey:
PBUJIMQCSFDCGX-UHFFFAOYSA-N

ID: 116945

SMILES:
O1C(C)(C)C2=CC(OC)=C(C)CC2c2c1ccc(CCCCC)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -10.927

InChIKey:
NFPMAEHGRMJHCF-UHFFFAOYSA-N

ID: 116946

SMILES:
C12CCC(O)(C)C(CC1(C)C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.336

InChIKey:
DRMBJWOQHVFTCQ-UHFFFAOYSA-N

ID: 116947

SMILES:
CC(C)=CCCC(C)(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.09

InChIKey:
AFVXCWNVZRVRHM-UHFFFAOYSA-N

ID: 116948

SMILES:
c1(O)c2c(cc(C)c1)OC(C)(C)c1c-2c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.328

CB1 binding score: -17.334

InChIKey:
VPFXLCCJONHZHW-UHFFFAOYSA-N

ID: 116949

SMILES:
Oc1cc(CCCCC)cc(O)c1C1(C)CCCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -17.453

InChIKey:
NIVAQGHPRXHFPI-UHFFFAOYSA-N

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116929–116949 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