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Molecule Identifiers
Molecular Properties

ID: 80263

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -18.448

InChIKey:
VSVXKUWCONIEPB-UHFFFAOYSA-N

ID: 80264

SMILES:
CC1CC2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 80265

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.184

InChIKey:
ZKGKOAJUWMGRFB-UHFFFAOYSA-N

ID: 80266

SMILES:
c1(O)c(C(CC(C)C)=O)c(O)c2c(c1O)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.502

InChIKey:
BGKNWRJPQVMSQP-UHFFFAOYSA-N

ID: 80267

SMILES:
CC1=CCC(C)(C)C=C2c3c(cc(CCCCC)c(C(=O)O)c3O)OC3=C2C(CCC3C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -15.447

InChIKey:
VOMNRPRWIYKBNJ-UHFFFAOYSA-N

ID: 80268

SMILES:
O(CCCc1c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.494

InChIKey:
XLSYFFIOGLJQSN-UHFFFAOYSA-N

ID: 80269

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.442

InChIKey:
FRBSLGKYEBNHLH-UHFFFAOYSA-N

ID: 80270

SMILES:
CC1(C)Oc2cc(O)cc(CCCCC)c2C2C1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -17.537

InChIKey:
FKUNDHTYOLQIIH-UHFFFAOYSA-N

ID: 80271

SMILES:
C(C1=CCC2(Oc3ccc(CCCCC)cc31)C(C)=CCC2C(C)CCC=C(CO)C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.652

CB1 binding score: -14.791

InChIKey:
YTCHYYVHQQJLQC-UHFFFAOYSA-N

ID: 80272

SMILES:
C(CCCC)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -17.994

InChIKey:
RSHHRAXMOZULOO-UHFFFAOYSA-N

ID: 80273

SMILES:
c1(CCCCCCCC)c2c(c(O)c(C=O)c1O)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.144

InChIKey:
FGXBRLDTAFHBJZ-UHFFFAOYSA-N

ID: 80274

SMILES:
C(CCCC)c1cc(O)c(C2C=C(CCC=C(C)C)CCC2C(O)(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.278

InChIKey:
WLEWCVDQLPDAGJ-UHFFFAOYSA-N

ID: 80275

SMILES:
C12C(=CCC(O)C1(C)C)COc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.831

InChIKey:
XUVMFLXYQPTWPL-UHFFFAOYSA-N

ID: 80276

SMILES:
C(OC(C)=O)C=Cc1c(OC2OC(CO)C(O)C(O)C2O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 520.575

CB1 binding score: -15.861

InChIKey:
AKNUZGCSRYAMNE-UHFFFAOYSA-N

ID: 80277

SMILES:
C(CC)Cc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(C#CC(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -16.603

InChIKey:
JHUALEUKFFCUQY-UHFFFAOYSA-N

ID: 80278

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(O)CC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 80279

SMILES:
CC(=CC)C(O)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.361

InChIKey:
HIIXKAOKMOHGFF-UHFFFAOYSA-N

ID: 80280

SMILES:
OC12C(C=C(C)C1)c1c(O)cc(CCCCC)cc1OC(C)(C)C2CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.263

InChIKey:
BGIZCUHBFUVKKK-UHFFFAOYSA-N

ID: 80281

SMILES:
C1C(CO)=CC2C(C1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.328

InChIKey:
IWHYDYORMMBLMI-UHFFFAOYSA-N

ID: 80282

SMILES:
CC1=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 80283

SMILES:
OC1C=C2C(C)(C)CC(O)CC2(C)Oc2c1c(O)cc(CCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.758

InChIKey:
RBJJBZKXNLLQML-UHFFFAOYSA-N

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80263–80283 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