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Molecule Identifiers
Molecular Properties

ID: 120919

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(O)(CCC3(C)C(C(C)(C)CCC3)CC1=O)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -8.049

InChIKey:
YMAIGVPIUBPEOO-UHFFFAOYSA-N

ID: 120920

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 120921

SMILES:
Oc1cc(CCCC)cc2c1C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -19.932

InChIKey:
YRIJETKCLFDWJX-UHFFFAOYSA-N

ID: 120922

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.195

InChIKey:
YGHGAKCNMMOGMH-UHFFFAOYSA-N

ID: 120923

SMILES:
C(CC(C)=CCc1c(O)cc(CCC)cc1O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 120924

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C=CC(=C)C)C(C)=CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -13.003

InChIKey:
FLWKTZRWBRKEOX-UHFFFAOYSA-N

ID: 120925

SMILES:
C(CC)Cc1c(O)cc(O)c2c1OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.247

InChIKey:
SWLKKEHBXUZFLA-UHFFFAOYSA-N

ID: 120926

SMILES:
C1(C)C(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -17.334

InChIKey:
IXAIFSNQLPJOAE-UHFFFAOYSA-N

ID: 120927

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 120928

SMILES:
c1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C(OC)=O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.365

InChIKey:
WIWAFAIVJYRCPO-UHFFFAOYSA-N

ID: 120929

SMILES:
Oc1c(C)cc(O)cc1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.975

InChIKey:
UUVKQBRZNCLIFS-UHFFFAOYSA-N

ID: 120930

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 120931

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C(=O)C(C=C)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.855

InChIKey:
HMVOYONKPWVHLE-UHFFFAOYSA-N

ID: 120932

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 120933

SMILES:
c1(Cc2ccc(OC)cc2OC)cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.51

CB1 binding score: -13.602

InChIKey:
CMWUCNLPTNCJAH-UHFFFAOYSA-N

ID: 120934

SMILES:
C(CCC=C(C)C)(C)=CCCC(=CCc1cc(O)c(CCCCC)cc1OC(=O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -15.927

InChIKey:
CPIOSLFQVVAANU-UHFFFAOYSA-N

ID: 120935

SMILES:
C1C2(C(C)(C(C)=O)Oc3cc(CCCCC)cc(O)c32)CC(C=C(C)C=O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -12.384

InChIKey:
PNFPXDWYVIOQPH-UHFFFAOYSA-N

ID: 120936

SMILES:
C1(C)=CC2c3c(cc(CCCC)cc3O)OC(C)(C)C2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.705

InChIKey:
VHMRAJMDEIPTGK-UHFFFAOYSA-N

ID: 120937

SMILES:
C1(=O)OCC2(C)Oc3c(c(O)cc(C)c3)C(C2)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.316

CB1 binding score: -14.944

InChIKey:
VCQFZMRJBMWBAX-UHFFFAOYSA-N

ID: 120938

SMILES:
C(CCCc1ccc2c(c1)C1C(CCC(C)=C1)C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -17.133

InChIKey:
ZHIBKDCGILZWOW-UHFFFAOYSA-N

ID: 120939

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(O)(CCC2C)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -17.134

InChIKey:
YSYVJOJPHMLSBY-UHFFFAOYSA-N

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120919–120939 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