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Molecule Identifiers
Molecular Properties

ID: 128311

SMILES:
CC(=C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 128312

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C(CC(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.034

InChIKey:
ZRXSSDGXOQPACD-UHFFFAOYSA-N

ID: 128313

SMILES:
C1(CC=C(C)C)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.191

InChIKey:
MGLWJJVAJQPDLK-UHFFFAOYSA-N

ID: 128314

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.023

InChIKey:
MEEBJPIAYWNNNA-UHFFFAOYSA-N

ID: 128315

SMILES:
C(c1c(O)c(O)c2c3c1OC(C)(C)C1CCC(C)(O3)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -13.522

InChIKey:
DTKNNHCHMYZAKI-UHFFFAOYSA-N

ID: 128316

SMILES:
C1(C)=C(C(O)=CC(OCC)(C)C)C(=O)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -15.929

InChIKey:
UDBWHYOOKXCHBY-UHFFFAOYSA-N

ID: 128317

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.855

InChIKey:
KBTNQOVTNZTJGJ-UHFFFAOYSA-N

ID: 128318

SMILES:
C(c1c(C2OC(=O)Cc3ccc(O)cc3O2)OC(C(C)(O)C)C1)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.449

CB1 binding score: -15.367

InChIKey:
DTKULBRTULZGKZ-UHFFFAOYSA-N

ID: 128319

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 128320

SMILES:
COc1ccc(O)c(C2C(C(=C)C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.401

InChIKey:
YRXZLRWBEYIBHE-UHFFFAOYSA-N

ID: 128321

SMILES:
C(=C)Cc1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.535

CB1 binding score: -14.854

InChIKey:
JUKKIGIFNTXFLZ-UHFFFAOYSA-N

ID: 128322

SMILES:
CC(C1CC(=O)C(C)=CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.937

InChIKey:
ITTWXDNCIYFWKG-UHFFFAOYSA-N

ID: 128323

SMILES:
C(CCO)c1cc(O)c(C2C=C(C)C(=O)CC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -16.256

InChIKey:
ILIUGJBXGSHTTN-UHFFFAOYSA-N

ID: 128324

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)C)(C2=O)OC2CC(C)C(=O)CC2C(=C)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -12.319

InChIKey:
RYFRUHKJRZAXNX-UHFFFAOYSA-N

ID: 128325

SMILES:
Oc1c(O)cc2c(c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -20.544

InChIKey:
MBKJEOZJMBSFKH-UHFFFAOYSA-N

ID: 128326

SMILES:
COc1cc(CC=C(C)C)c(O)cc1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.502

InChIKey:
HGVPBAJBENSUKJ-UHFFFAOYSA-N

ID: 128327

SMILES:
C(C(C)CCc1cc(O)c(C2CCC(C)(O)CC2OC(C)=O)c(O)c1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -15.138

InChIKey:
VOTPGAWMBLCBSJ-UHFFFAOYSA-N

ID: 128328

SMILES:
C=C(C1C2C3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CCC2(C)OC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.378

InChIKey:
GNQIBHXIQLQDCB-UHFFFAOYSA-N

ID: 128329

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC(C)(C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.348

CB1 binding score: -18.149

InChIKey:
PWNRYJVNGXSCQW-UHFFFAOYSA-N

ID: 128330

SMILES:
C(N1C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC=C1C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 357.538

CB1 binding score: -12.097

InChIKey:
XVXPTXGSJULMEJ-UHFFFAOYSA-N

ID: 128331

SMILES:
C12(C)Oc3c(c(O)cc(CCCCC)c3)C1CC(C)(CO)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.084

InChIKey:
OHXZVHUSDOTDAY-UHFFFAOYSA-N

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128311–128331 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