Browse

Molecule Identifiers
Molecular Properties

ID: 137866

SMILES:
C(CCC)Cc1cc(O)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.349

InChIKey:
PVWKYDHSQZSCHQ-UHFFFAOYSA-N

ID: 137867

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137868

SMILES:
C1C2(O)C(CCC(C)C2)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.614

InChIKey:
BGXFONLEXGYPAP-UHFFFAOYSA-N

ID: 137869

SMILES:
O=C(O)c1c(CC=C(CCC=C(C)C)C)c(O)cc(CCC)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.454

InChIKey:
ZSYYSYMHSYGKQS-UHFFFAOYSA-N

ID: 137870

SMILES:
CCCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 137871

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.781

InChIKey:
CTZSPTCATADZMP-UHFFFAOYSA-N

ID: 137872

SMILES:
O1c2c(c(O)cc(CCC)c2)C2C1(CC1C(C)(C)C(C)CC=C1C)C(C)=CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -12.662

InChIKey:
OOMFNCXGXMVHOB-UHFFFAOYSA-N

ID: 137873

SMILES:
C(C(C)C)C1C2C(C)(CC1)Oc1c2cc(CCCC)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.459

CB1 binding score: -15.555

InChIKey:
YZBOLZQIITUNLL-UHFFFAOYSA-N

ID: 137874

SMILES:
C1(Oc2c(CC=C(C)C)c(O)cc(CCCCC)c2)C(CO)=CC=CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.687

InChIKey:
SIIYYFFGNQTTEO-UHFFFAOYSA-N

ID: 137875

SMILES:
C12c3c(O)cc(CCCCC)cc3OC1(C)CC=CC(C)(C)CC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.603

InChIKey:
ZOISKORAHQHROP-UHFFFAOYSA-N

ID: 137876

SMILES:
C1CC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 137877

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C(C)=C)C3C(OC)(C1=O)C(=CCC3C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -12.209

InChIKey:
GUBWNTKXFGHFTL-UHFFFAOYSA-N

ID: 137878

SMILES:
c1(OC(=O)C)c(O)c2c(c(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.468

InChIKey:
YWEMNUBJWAQDOO-UHFFFAOYSA-N

ID: 137879

SMILES:
C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137880

SMILES:
C1CC(CCC(O)C)(C)Oc2cc(O)cc(C)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -15.468

InChIKey:
ZHHPCKJHHOJZOP-UHFFFAOYSA-N

ID: 137881

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.736

InChIKey:
CWNRMLSJCWFXPH-UHFFFAOYSA-N

ID: 137882

SMILES:
c12cc(C)cc(O)c1C(C)C(=O)C=CC(C)(CO)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.305

CB1 binding score: -14.605

InChIKey:
CJPKMOLFWRERIY-UHFFFAOYSA-N

ID: 137883

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137884

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 137885

SMILES:
Cc1c(O)cc(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19

InChIKey:
VCUWNGMQOOFWFS-UHFFFAOYSA-N

ID: 137886

SMILES:
c1c(O)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.07

InChIKey:
LIEZPCZOEMYUIR-UHFFFAOYSA-N

◀6563656465656566656765686569▶
137866–137886 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