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Molecule Identifiers
Molecular Properties

ID: 95257

SMILES:
C1(c2c(O)cc(CCCCC)cc2)C(CC=C(C)C)=C(C)C(=O)C(C)=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -16.28

InChIKey:
HJTRDUFZIFWWFP-UHFFFAOYSA-N

ID: 95258

SMILES:
C12(C(C)C)C3(CCC(=C)C1C(=O)O3)Oc1c(c(O)cc(CCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -15.607

InChIKey:
HJCJOFQDQYHNCU-UHFFFAOYSA-N

ID: 95259

SMILES:
Cc1cc(CCC)c2c(c1)OC(C)(C)C1c3ccc(O)c(O)c3CCC1C(C)(C)CCC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.636

CB1 binding score: -14.031

InChIKey:
SMSIGVWHMSXCSU-UHFFFAOYSA-N

ID: 95260

SMILES:
C1=CC(C)(C)Oc2c(cccc2CCCC)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.351

CB1 binding score: -14.196

InChIKey:
HRKGUPYETXPWQZ-UHFFFAOYSA-N

ID: 95261

SMILES:
C1CC2(C)Oc3cc(CCCCC)cc(O)c3C(CC=C(C)C)(CC=C1C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -12.982

InChIKey:
WBPAHRLCOMBLLF-UHFFFAOYSA-N

ID: 95262

SMILES:
c1(O)c(CCCCC)cc2c(c1O)C1C(CCC(COC(=O)C=Cc3ccc(O)cc3)(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.655

CB1 binding score: -12.694

InChIKey:
LKPJSWNBWZQTBJ-UHFFFAOYSA-N

ID: 95263

SMILES:
C12=CC(O)(C)CC(O)C1(O)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -15.697

InChIKey:
HLMVGADIHSSSRB-UHFFFAOYSA-N

ID: 95264

SMILES:
C1=C(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 95265

SMILES:
CCCCCc1cc(O)c(CC=C(C)CCC=C(C=O)C)c(O)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 358.478

CB1 binding score: -17.495

InChIKey:
AYJUYXNFIFFVAX-UHFFFAOYSA-N

ID: 95266

SMILES:
CC1(C)CCc2c(c(OC)cc(CCCCC)c2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -16.735

InChIKey:
OZSJZZUQGDOIOF-UHFFFAOYSA-N

ID: 95267

SMILES:
OC1CC(C)Oc2c1c(O)cc(CCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 222.284

CB1 binding score: -17.935

InChIKey:
XOYANJWFFPXQIS-UHFFFAOYSA-N

ID: 95268

SMILES:
c1(CCCC(C(=O)O)(C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids;Aromatic polyketides

Class: Cannabinoids;Catechols with side chains

MW: 308.418

CB1 binding score: -14.929

InChIKey:
HCEGHQIORWQDAD-UHFFFAOYSA-N

ID: 95269

SMILES:
C(C)(C)C(=O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)(O)C21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.506

InChIKey:
MDBUFRQHISBBBO-UHFFFAOYSA-N

ID: 95270

SMILES:
Oc1c(CC=C(C)C)c(OC)c2c(c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.635

InChIKey:
FGXFGJAVMQASTG-UHFFFAOYSA-N

ID: 95271

SMILES:
C1=C(C)CCC(OC(=O)C)C(C)(C)Oc2cc(CCCCC)cc(OC(=O)C(C)C)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -14.689

InChIKey:
DMEDCMOVIDGICO-UHFFFAOYSA-N

ID: 95272

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 95273

SMILES:
C1(C(=C)C)CC=CCC1C#CC(C)(C)OOc1c(C(CO)OC)cc(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -13.039

InChIKey:
ZJRHVIXVRTYWPH-UHFFFAOYSA-N

ID: 95274

SMILES:
C=C(C)C1C(c2c(O)cc(CCC)cc2O)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 95275

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 95276

SMILES:
c1c2c(cc(O)c1)OC(C)(C)C1CC=C(C)C(O)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -16.477

InChIKey:
OSLBRBGRNMWWBD-UHFFFAOYSA-N

ID: 95277

SMILES:
CC(=CCc1c(O)cc(O)cc1-c1cc2c(cc1C)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.577

CB1 binding score: -13.85

InChIKey:
UFCIFKYOBADBMY-UHFFFAOYSA-N

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95257–95277 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