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Molecule Identifiers
Molecular Properties

ID: 129928

SMILES:
OC(C(O)C(=C)C)C(=O)c1cc(O)c(C)c(C2C(C(=C)C)CCC(C)=C2)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.141

InChIKey:
AFCUZOXKYNWOOP-UHFFFAOYSA-N

ID: 129929

SMILES:
C1(C)(C)Oc2cc(O)cc(C)c2C(=O)C2C1CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.438

InChIKey:
WJTAKEJZDBXLHZ-UHFFFAOYSA-N

ID: 129930

SMILES:
Oc1cc(C)c2c(c1COc1cc(CCCCC)cc(O)c1)C=C(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

CB1 binding score: -15.281

InChIKey:
QDKOEOIQDKFJEB-UHFFFAOYSA-N

ID: 129931

SMILES:
CC1(C)Oc2cc(C)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 129932

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129933

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129934

SMILES:
C1C2C(C)(C)Oc3c(cc(O)cc3C)CC2C(=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.12

InChIKey:
CRQJULJCEAMRSR-UHFFFAOYSA-N

ID: 129935

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 129936

SMILES:
C1(C)=CC(c2c(OC)ccc(OC)c2CC=C(C)C)C(C(C)=C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.843

InChIKey:
YZVQYXQKIPCZPY-UHFFFAOYSA-N

ID: 129937

SMILES:
C(c1c(O)c(C)c2c(c1O)CC(O)C(C)(C)O2)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.391

CB1 binding score: -14.584

InChIKey:
AOOBBOCGERNLKU-UHFFFAOYSA-N

ID: 129938

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC1(C)CCCC(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.783

InChIKey:
KPTGTVLDBMVBEX-UHFFFAOYSA-N

ID: 129939

SMILES:
C1C(O)C(C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 129940

SMILES:
c12c(O)cc(C=O)c(CCC(=O)O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -15.367

InChIKey:
LKGLUESMMVMLCH-UHFFFAOYSA-N

ID: 129941

SMILES:
c1(OC)c(CC=C(C)CC(OC(=O)C)C=C(CCC=C(C)C)C)c(O)cc(CCc2ccccc2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 490.684

CB1 binding score: -12.523

InChIKey:
ZLRPFHRWTRLONU-UHFFFAOYSA-N

ID: 129942

SMILES:
OC(C)(C=Cc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -17.759

InChIKey:
OISUPOCCARCYCK-UHFFFAOYSA-N

ID: 129943

SMILES:
c1(C2=C(CC(C)C)C(=O)OC2(c2ccccc2)O)cc(OC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 488.624

CB1 binding score: -15.239

InChIKey:
JIJKGTMHSYRXQC-UHFFFAOYSA-N

ID: 129944

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 129945

SMILES:
C1C23C(=O)OC4(C(=O)C=C(C)CC4)C2(C)CCC3(O)Oc2c1ccc(CCCCCCCCCCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.753

CB1 binding score: -14.241

InChIKey:
KAGUKCXHWKBJOR-UHFFFAOYSA-N

ID: 129946

SMILES:
c1(O)cc2c(cc1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.112

InChIKey:
OTSLLDNPLNAKHW-UHFFFAOYSA-N

ID: 129947

SMILES:
C=C(C)C1C(OOC(=O)C)CC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -16.527

InChIKey:
DTICBMPAFLYOFX-UHFFFAOYSA-N

ID: 129948

SMILES:
OC1(C)CC=CC(C)(C)C1c1cc(CCCCC)cc(OC(=O)C)c1OC(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -15.374

InChIKey:
PKPAIWLIPXNJBZ-UHFFFAOYSA-N

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129928–129948 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