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Molecule Identifiers
Molecular Properties

ID: 134296

SMILES:
c1(O)c2c(cc(OC)c1OC)C(CC(C)=O)OC(C)(C)C2CCC1(C)Oc2cc(C)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.589

CB1 binding score: -14.469

InChIKey:
IGFDDMKOTZALQP-UHFFFAOYSA-N

ID: 134297

SMILES:
C1C(O)CC(C2(C)CCC(O)C(C)(C)O2)CC12C(Cc1c(O)c(O)c(C(C(C)CC)=O)c(O)c1)C(=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 520.619

CB1 binding score: -14.745

InChIKey:
VIHLTPKKUVRDJN-UHFFFAOYSA-N

ID: 134298

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 134299

SMILES:
O1C2CC3(C)Oc4cc(CCCCC)cc(O)c4C34OC(=O)C2C1C(=C)CCC1C(C)C(=O)OC1C4

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.6

CB1 binding score: -14.964

InChIKey:
KMXHAZSRCCAWAN-UHFFFAOYSA-N

ID: 134300

SMILES:
c1c(CC)cc(O)c2c1OC1(C)C(C2(C)C)CC(C(C)=C)C(C)(C)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.781

InChIKey:
QFBYXEYXVQGKEO-UHFFFAOYSA-N

ID: 134301

SMILES:
c12c(OC)ccc(O)c1C1CC(C)=CC(=O)C1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -12.685

InChIKey:
BLQUFHCWDLVLGX-UHFFFAOYSA-N

ID: 134302

SMILES:
CC(CCC=C(C)CC(=O)C=C(C)C)Oc1cc(CCCCC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.527

InChIKey:
CYXVJXTVLDWXMJ-UHFFFAOYSA-N

ID: 134303

SMILES:
CC12Oc3c(c(O)c(OC)c(C)c3)C(CC1)c1c(O)cc(C)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.391

CB1 binding score: -14.142

InChIKey:
IMCFKJHOAUPTDZ-UHFFFAOYSA-N

ID: 134304

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(OC)c2C2C(C(C)=C)CCC(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -17.201

InChIKey:
AKCUCAFARAPZQG-UHFFFAOYSA-N

ID: 134305

SMILES:
O=C(C)OC1(O)CC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -15.704

InChIKey:
LLHZVGZPZFXSTD-UHFFFAOYSA-N

ID: 134306

SMILES:
C1(C(C)=C)C(c2c(CCCC)cc(O)cc2O)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 316.485

CB1 binding score: -14.651

InChIKey:
OUEPWJCLLLPSRD-UHFFFAOYSA-N

ID: 134307

SMILES:
C(C)(=CC1c2c(O)cc(CCCCC)cc2OC1(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.082

InChIKey:
IIKPKUGVSJUDHY-UHFFFAOYSA-N

ID: 134308

SMILES:
C1(C(=C)COC)C(c2c(OC)cc(CCCCC)cc2OC)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.217

InChIKey:
GUJZWIBZTMKWFB-UHFFFAOYSA-N

ID: 134309

SMILES:
C(C)(=CC1c2c(O)cc(CCC)cc2OC1(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -16.584

InChIKey:
QBJCBYIDNOPVRF-UHFFFAOYSA-N

ID: 134310

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(C)(C)OC(C)(C1)C2=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.113

InChIKey:
PSDGYRQFLFCRHY-UHFFFAOYSA-N

ID: 134311

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.882

InChIKey:
UEFGHYCIOXYTOG-UHFFFAOYSA-N

ID: 134312

SMILES:
C(c1cc(O)c(CC=C(CCC=C(C)C)C)cc1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -17.127

InChIKey:
OPXKVEGAXOYJHJ-UHFFFAOYSA-N

ID: 134313

SMILES:
C(CCCC)c1cc2c(c(O)c1)OC1(C)C(C2)C(C)(C)CC=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.905

InChIKey:
UDEVJRMEUYWBHR-UHFFFAOYSA-N

ID: 134314

SMILES:
c1(O)c2c(c(O)cc1CCCCC)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.556

InChIKey:
HHNDAUFJVOQKOO-UHFFFAOYSA-N

ID: 134315

SMILES:
c1c(O)c(C2C=C(C)CCC2C(C)C)c(O)cc1CCC(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -17.644

InChIKey:
FJKJXAPIHADIDJ-UHFFFAOYSA-N

ID: 134316

SMILES:
C1(C)(C)Oc2cc(C=CC(=O)C)c(O)cc2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -15.319

InChIKey:
GSRPWHIYHLHDCE-UHFFFAOYSA-N

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134296–134316 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