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Molecule Identifiers
Molecular Properties

ID: 101914

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.898

InChIKey:
SUVXTOCRTNYFMQ-UHFFFAOYSA-N

ID: 101915

SMILES:
CC(C1CCC(C)=CC1c1c(OC)cc(CCCCCO)cc1OC(C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.835

InChIKey:
UJMQLYMKDHBUJH-UHFFFAOYSA-N

ID: 101916

SMILES:
C1(O)=CC(C(C)C)=CC(=O)C1(O)C1C2C(CC(C)=CC1c1c(O)cc(CCCCC)cc1OC2(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.671

CB1 binding score: -14.625

InChIKey:
OOWNOIJBRCDAPE-UHFFFAOYSA-N

ID: 101917

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.696

CB1 binding score: -14.2

InChIKey:
JZZLNOBYMIRRQD-UHFFFAOYSA-N

ID: 101918

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.898

InChIKey:
SUVXTOCRTNYFMQ-UHFFFAOYSA-N

ID: 101919

SMILES:
CC1(C)C2(O)C(CC(C)=CC2)c2c(O)cc(C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.215

InChIKey:
LRYKBHFCQKDWIN-UHFFFAOYSA-N

ID: 101920

SMILES:
c1c2c(cc(CCCCC)c1)C1C(C(C)=C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -15.369

InChIKey:
HWCFZXGNWYDFDG-UHFFFAOYSA-N

ID: 101921

SMILES:
C1(C)C(OC(=O)c2cc3c(cc2CCCC)OC(C)(CCC=C(C)C)C3=O)CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -13.305

InChIKey:
PTIZGFSBGBPTKS-UHFFFAOYSA-N

ID: 101922

SMILES:
O(C)c1cc(CC)cc2c1-c1cc(C)ccc1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.383

CB1 binding score: -15.623

InChIKey:
QTXDMYAXBAFFMP-UHFFFAOYSA-N

ID: 101923

SMILES:
O1C23Oc4c(c(O)cc(C)c4)C(CC2C(C)(C)C1(OC(C)=O)C)C3CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -16.535

InChIKey:
IXFXZAJAMBXFJP-UHFFFAOYSA-N

ID: 101924

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.778

InChIKey:
AMGXADATBGFXBT-UHFFFAOYSA-N

ID: 101925

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 101926

SMILES:
c1(CCc2cc(O)c(OC)cc2)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -15.291

InChIKey:
BIQTXXWXAWNQNX-UHFFFAOYSA-N

ID: 101927

SMILES:
c1(OC)cc2c(cc1O)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -17.123

InChIKey:
GOPZNKFLPGKPRS-UHFFFAOYSA-N

ID: 101928

SMILES:
c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCc2cc(O)cc(OC)c2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -15.929

InChIKey:
DDMMGHWGYDGFMH-UHFFFAOYSA-N

ID: 101929

SMILES:
Oc1ccc2c(c1CC=C(C)C)C1C=C(C(=O)O)CCC1C(C)(O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -16.658

InChIKey:
FDKABMWYGREWKT-UHFFFAOYSA-N

ID: 101930

SMILES:
c1(C(O)=O)cc2c(cc1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -17.305

InChIKey:
JBWXQHPCNXVBGP-UHFFFAOYSA-N

ID: 101931

SMILES:
C12CC(O)CCC1(C(O)=O)C(CCC1(C)C=Cc3c(O)cc(CCCCC)cc3O1)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.622

CB1 binding score: -14.917

InChIKey:
SNNMZSXPURIKIM-UHFFFAOYSA-N

ID: 101932

SMILES:
CC1(C)CCCC2=Cc3c(O)cc(CCCCC)cc3OC21C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.275

InChIKey:
DYAPVJKYVFNIBY-UHFFFAOYSA-N

ID: 101933

SMILES:
CC(C)CCCc1c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.044

InChIKey:
WPXNCKBZAACLEJ-UHFFFAOYSA-N

ID: 101934

SMILES:
C(CC1(C)Oc2c(C)cc(OC)cc2C=C1)=CC1(C)CCC(=O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -14.605

InChIKey:
DNUSWMLUQVTCAC-UHFFFAOYSA-N

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101914–101934 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