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Molecule Identifiers
Molecular Properties

ID: 34294

SMILES:
c1(C2C(C(=C)C)CC(C)(C)C2)ccc(COc2ccccc2)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.502

CB1 binding score: -15.374

InChIKey:
PSYBXFZHQLRJBL-UHFFFAOYSA-N

ID: 34295

SMILES:
c1(O)c(=O)c(O)c(C)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.144

InChIKey:
YNLNSEZZZDIGJG-UHFFFAOYSA-N

ID: 34296

SMILES:
C1(OC)CC(O)C2=C(C3(Oc4c(c(O)cc(CCCCC)c4)C3=O)O2)C1C(=C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.471

CB1 binding score: -14.859

InChIKey:
GCHDMBZOGSAATJ-UHFFFAOYSA-N

ID: 34297

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -16.739

InChIKey:
OPCNIXJIQDVWKR-UHFFFAOYSA-N

ID: 34298

SMILES:
c1c(CCCCC)c2c(c3c1OC(C1OC(C)(C)C=C1)C3CC(=O)C)ccc([N+](=O)O)c2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.543

CB1 binding score: -15.419

InChIKey:
JOQCAHIAKUXLGE-UHFFFAOYSA-O

ID: 34299

SMILES:
c1c2c(c(C(CCCCCCC)OC)cc1O)OC(C)(C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -13.719

InChIKey:
OMKWKZNQAMTXQB-UHFFFAOYSA-N

ID: 34300

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C1C(=O)C(C)(C2)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.139

InChIKey:
NJVBBGCXSCIVEI-UHFFFAOYSA-N

ID: 34301

SMILES:
C1C(Cc2c(O)c(C(OC)=O)cc(CCCCC)c2)C(C(C)=C)CCC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.638

InChIKey:
IQYUSWXOOJKSQT-UHFFFAOYSA-N

ID: 34302

SMILES:
c1(C(C)OC(=O)C(C)C)cc2c(c(O)c1Br)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 437.374

CB1 binding score: -14.139

InChIKey:
ZJCKTMWOXSNVKI-UHFFFAOYSA-N

ID: 34303

SMILES:
CC(=CCCC(C)=CCc1c(O)c(C)cc(OC)c1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.998

InChIKey:
JOEMTWREQIGCCT-UHFFFAOYSA-N

ID: 34304

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 34305

SMILES:
c1c(CCC)cc(O)c2c1OC(C)(C)C1=C2C(C(=O)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.385

InChIKey:
DKNAIGXLRDXVPC-UHFFFAOYSA-N

ID: 34306

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 34307

SMILES:
CC1(C)Oc2cc(CCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 34308

SMILES:
CC(=CCCC(C)=CCc1cc(O)cc(CC(OC)OC)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.633

InChIKey:
WMGVPLZPFRBEEX-UHFFFAOYSA-N

ID: 34309

SMILES:
c1(CCCCC)cc(O)c(CC=C(C)C)c(O)c1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.268

InChIKey:
ZVLQJRXSGVAHOI-UHFFFAOYSA-N

ID: 34310

SMILES:
C(=O)c1c2c(c(O)c(C=CC(C)C)c1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -16.181

InChIKey:
HAPWCGRFFLTQRW-UHFFFAOYSA-N

ID: 34311

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 34312

SMILES:
CCCCCCc1cc2c(c(O)c1)C1C2(C)CC(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.23

InChIKey:
TUABSYXBFGVUDZ-UHFFFAOYSA-N

ID: 34313

SMILES:
C(c1c(O)c(O)cc2c1-c1c3c(cc(C)c1OC)OC(C)(C)C3C2)(CCCC(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -16.027

InChIKey:
CYBOCESIDCZSOH-UHFFFAOYSA-N

ID: 34314

SMILES:
COc1cc(CCCC(=O)C)cc2c1C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.767

InChIKey:
AZLYCAAKEWAYBV-UHFFFAOYSA-N

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34294–34314 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