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Molecule Identifiers
Molecular Properties

ID: 142276

SMILES:
CC1Oc2c(c(O)cc(CCC(CC)C)c2)C2C(C)COC(O)C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.519

InChIKey:
XNFWTBSNPSTKAK-UHFFFAOYSA-N

ID: 142277

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)=CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -15.839

InChIKey:
XHXWZKLQIVUZJR-UHFFFAOYSA-N

ID: 142278

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 142279

SMILES:
Cc1c(C2C(C(O)(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -18.706

InChIKey:
PATBMXILLYLHTK-UHFFFAOYSA-N

ID: 142280

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.437

InChIKey:
QRBNXTXBDBDGPO-UHFFFAOYSA-N

ID: 142281

SMILES:
C1(C(C)C)CCC(O)(C)C2Oc3c(c(OC)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.046

InChIKey:
JYIWJCVBYCANMA-UHFFFAOYSA-N

ID: 142282

SMILES:
CCC(Cc1ccc2c(c1C=O)OC(C)(C)C(OC)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.255

InChIKey:
ZRFJQQMAKBZPBN-UHFFFAOYSA-N

ID: 142283

SMILES:
C(c1cc(O)cc(O)c1)C1(C)C2=CC(=O)C(C)=CC2C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -15.195

InChIKey:
FKTMZZNLWLEFSK-UHFFFAOYSA-N

ID: 142284

SMILES:
c1c2c(c(O)cc1CCCCC)OC(C(C)(C)O)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -18.072

InChIKey:
VVYPGKBSMUJIEM-UHFFFAOYSA-N

ID: 142285

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 142286

SMILES:
C12c3c(O)c(O)c(C)cc3OC(C)(C)C1CCC(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -16.859

InChIKey:
HAXVIXFJYOFNHO-UHFFFAOYSA-N

ID: 142287

SMILES:
c1(CC(C)=O)c(O)cc(CCCCC)cc1OC(C)(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -13.493

InChIKey:
ARLQWAKBDYPWJL-UHFFFAOYSA-N

ID: 142288

SMILES:
c1(CC)c2c(ccc1C)C(C)(C)Oc1cc(CCCCC)cc(O)c1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -16.849

InChIKey:
BGFIXWKIMIMFMD-UHFFFAOYSA-N

ID: 142289

SMILES:
CC(CCCC1(C)CC=C(CCC=C(C)C)CC1c1ccc(O)c(OC(C)=O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.094

InChIKey:
VDWSJOBJNVWWHC-UHFFFAOYSA-N

ID: 142290

SMILES:
c1c(CCCCC)cc(O)c2c1OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 142291

SMILES:
C(Cc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -14.172

InChIKey:
IRHGSFUUNDQNLX-UHFFFAOYSA-N

ID: 142292

SMILES:
c1(O)c2c(c(O)cc1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.988

InChIKey:
FDECQIAQAVZRFF-UHFFFAOYSA-N

ID: 142293

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)C(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.392

CB1 binding score: -16.376

InChIKey:
FGISBWODXJZBDL-UHFFFAOYSA-N

ID: 142294

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -16.443

InChIKey:
SKFXBWLZONYOTE-UHFFFAOYSA-N

ID: 142295

SMILES:
O1c2c(c(O)cc(CCCC)c2)C2CC(C)=CCCC(=C)C1CC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -16.571

InChIKey:
AVTFVLGIGFOBSL-UHFFFAOYSA-N

ID: 142296

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.488

InChIKey:
SHKSNSDRGOBIPR-UHFFFAOYSA-N

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142276–142296 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