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Molecule Identifiers
Molecular Properties

ID: 134233

SMILES:
c12c(c(OC)cc(C(=C)O)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.042

InChIKey:
SKNLRCRWMMTIGC-UHFFFAOYSA-N

ID: 134234

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134235

SMILES:
Oc1c2c(cc(C)c1)OC13CC(CCC1=O)C(C)(C)OC3=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -11.712

InChIKey:
MJASNSXHISVAMR-UHFFFAOYSA-N

ID: 134236

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -17.691

InChIKey:
ZBBXHJRPBQMOEE-UHFFFAOYSA-N

ID: 134237

SMILES:
C12(C)COc3c(c(O)cc(CCCCC)c3)C1CC(=C(C)C)C(=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.57

InChIKey:
LJZJGELUNYBIQX-UHFFFAOYSA-N

ID: 134238

SMILES:
CC1(C)C2CC(=O)C(C)CC2c2c(OC)cc(C)c(Br)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 367.283

CB1 binding score: -15.702

InChIKey:
DUMAHLKOXGZWJK-UHFFFAOYSA-N

ID: 134239

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1=C2C(O)C(C)(OC(=O)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -16.304

InChIKey:
BREZGQDXFWRJPB-UHFFFAOYSA-N

ID: 134240

SMILES:
O=C(c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(C)cc1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.683

InChIKey:
CHZNRNUFMLABEH-UHFFFAOYSA-N

ID: 134241

SMILES:
C(C(=CCCC(C)=CCc1c(O)cc(C)cc1O)C)(CO)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.295

InChIKey:
KYUDAFYKDIHOQE-UHFFFAOYSA-N

ID: 134242

SMILES:
C(CCNC)(O)Oc1c(C(C(C)C)=O)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 417.546

CB1 binding score: -17.344

InChIKey:
BSJKJOPNPPSXQM-UHFFFAOYSA-N

ID: 134243

SMILES:
CC1c2c(C3C(C(C)=C)CCC(C)=C3)c(O)cc(C)c2C(C=C(C)C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -13.847

InChIKey:
FCWQJNBTMSMFHT-UHFFFAOYSA-N

ID: 134244

SMILES:
C1C(CO)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.535

InChIKey:
IQKSPCWCAXITBO-UHFFFAOYSA-N

ID: 134245

SMILES:
C1(=O)C2(C)c3c(cc(CCCCC)cc3O)OC(C2=C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.97

InChIKey:
YWCQKQRUTCTNGS-UHFFFAOYSA-N

ID: 134246

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)C=C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.727

InChIKey:
YLTWYAXWDLZZCU-UHFFFAOYSA-N

ID: 134247

SMILES:
c1(O)c(C)c(OC)cc(OC)c1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.728

InChIKey:
STSYYWPNWSIEJI-UHFFFAOYSA-N

ID: 134248

SMILES:
OC1(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 134249

SMILES:
O(C)c1ccc(C)c2c1c1c(cc2)C(CO)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.522

CB1 binding score: -15.688

InChIKey:
FJZMLAILHBPIJH-UHFFFAOYSA-N

ID: 134250

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 134251

SMILES:
C=C1CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.767

InChIKey:
JGDVCODMEPACRG-UHFFFAOYSA-N

ID: 134252

SMILES:
C1(C)(C)Oc2c3c(O)c(Cc4c(O)cc(O)cc4CC=C(C)C)c(OC)c3CC2C2(C)C1CCC(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.682

CB1 binding score: -13.366

InChIKey:
VRGXMLLZFXGDIK-UHFFFAOYSA-N

ID: 134253

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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134233–134253 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