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Molecule Identifiers
Molecular Properties

ID: 93262

SMILES:
c1(CC(CC)O)cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.014

InChIKey:
QQNMGOUVBGJODM-UHFFFAOYSA-N

ID: 93263

SMILES:
c12cc(OC)ccc1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.687

InChIKey:
UHTAHYZTMUZEEI-UHFFFAOYSA-N

ID: 93264

SMILES:
C1(C)(C)CC(CC(=CCc2c(O)cc(CCCCC)cc2O)O)CC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.775

InChIKey:
KEEIGHFCPUEIRW-UHFFFAOYSA-N

ID: 93265

SMILES:
C(=C(CCC=C(C)CO)C)Cc1c(O)cc(CCCCC)c(C(=O)O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -18.124

InChIKey:
GUMRKMJJLHFLMN-UHFFFAOYSA-N

ID: 93266

SMILES:
CC1=CCC=C(C)C2C(CC1)C(C)(C)Oc1c2ccc(C(=O)O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.347

InChIKey:
BOUQTDFYJFZRJJ-UHFFFAOYSA-N

ID: 93267

SMILES:
C1(C(=O)OC)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.943

InChIKey:
CCMWHLPOQSRJEP-UHFFFAOYSA-N

ID: 93268

SMILES:
CC(C(c1c(C(O)CC(O)C)cc(O)c2c1OC(C)(C)C1CCC(C(O)=O)=CC21)N)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 433.545

CB1 binding score: -15.67

InChIKey:
GYJGHXMORPPWAV-UHFFFAOYSA-N

ID: 93269

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C3C(C)(O)CCC(C(OC(=O)C)(C)C2)C3C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -14.936

InChIKey:
DZMSSIUMXJTEEG-UHFFFAOYSA-N

ID: 93270

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.27

InChIKey:
WPJGAEFIBVPIDI-UHFFFAOYSA-N

ID: 93271

SMILES:
c1c(C(O)C(C)C)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -18.013

InChIKey:
FGFOTVXVDVGRKF-UHFFFAOYSA-N

ID: 93272

SMILES:
C(CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C=Cc1ccc(O)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.603

CB1 binding score: -14.385

InChIKey:
FWNYYBYFRSZXJT-UHFFFAOYSA-N

ID: 93273

SMILES:
O1CC(C)C2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.741

InChIKey:
JZVPQJSWHSGHIL-UHFFFAOYSA-N

ID: 93274

SMILES:
C1(C)(C)Oc2c(c(O)c(CCC(O)(C)CCCCCCC)cc2O)C2C=C(C(=O)O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.611

CB1 binding score: -16.668

InChIKey:
BBSOJNWFVSJVNC-UHFFFAOYSA-N

ID: 93275

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)C2OC2(C)CC(OC(C(CC)C)=O)C2C(C)C(=O)OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.594

CB1 binding score: -11.41

InChIKey:
CFXQAVSRASXQGC-UHFFFAOYSA-N

ID: 93276

SMILES:
C=C(C)C1C2(Cc3c(O)cc(CCC)cc3O)C(C)CCC1O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.552

InChIKey:
QNMYTSNYRXGBCD-UHFFFAOYSA-N

ID: 93277

SMILES:
C(Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.748

InChIKey:
KEBLMJFKEVAPFE-UHFFFAOYSA-N

ID: 93278

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.998

InChIKey:
CQDIVXIGXATVPX-UHFFFAOYSA-N

ID: 93279

SMILES:
C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -16.977

InChIKey:
LZVIFLQZWZKIDX-UHFFFAOYSA-N

ID: 93280

SMILES:
C(CCCCCC)c1ccc2c(c1O)C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.491

InChIKey:
BIHNSRYDYWSVFA-UHFFFAOYSA-N

ID: 93281

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.374

InChIKey:
FYEVCSFOWVVFOK-UHFFFAOYSA-N

ID: 93282

SMILES:
C(CC=C(C)C)C1(C)CCc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

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93262–93282 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