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Molecule Identifiers
Molecular Properties

ID: 118441

SMILES:
c1(C2CC(=O)C(CCC)CC2(C(OC)=O)C)cc(OC)c(C2C(C(C)=C)CCC(C)=C2)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -13.245

InChIKey:
JOEICRQBSZFAPC-UHFFFAOYSA-N

ID: 118442

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 314.469

CB1 binding score: -18.27

InChIKey:
PBVXSNIWCHRXCN-UHFFFAOYSA-N

ID: 118443

SMILES:
c1(O)cc(C)c(C2C=C(C)CCC2C(=C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.175

InChIKey:
GJXWWWKLUZSVGM-UHFFFAOYSA-N

ID: 118444

SMILES:
C(Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)OC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.59

InChIKey:
WRDVKVLYPPJQJW-UHFFFAOYSA-N

ID: 118445

SMILES:
C(CC)CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 118446

SMILES:
C(OC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.764

InChIKey:
AUUVGZCWCFQAQX-UHFFFAOYSA-N

ID: 118447

SMILES:
C1(C)(C=C)CC(O)C2(O)C(C)(Oc3cc(CCCCCCCCCCC)cc(C(OCc4ccc(O)cc4)=O)c3C2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 578.79

CB1 binding score: -14.746

InChIKey:
DPVUXTGXEMYSLZ-UHFFFAOYSA-N

ID: 118448

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 118449

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(CCC=C(C)C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.813

InChIKey:
VNWBGXITDBPQSY-UHFFFAOYSA-N

ID: 118450

SMILES:
Oc1cc(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -17.351

InChIKey:
SQRVZRBFCFPASS-UHFFFAOYSA-N

ID: 118451

SMILES:
C1(CCC(C)=CCc2cc(O)cc(C)c2O)=CC(O)(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.894

InChIKey:
BOYFFXRKHIABMJ-UHFFFAOYSA-N

ID: 118452

SMILES:
C1C2C(C)(C)OC3=C(C(O)=O)C(C)CC(CCCCC)C(C23OC)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -18.028

InChIKey:
JXCZHLPAPKNTNB-UHFFFAOYSA-N

ID: 118453

SMILES:
C1(CC(=CCc2c(O)cc(C)cc2O)C)CC(C(CO)=C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.522

InChIKey:
LDGFGQUQCGQNJK-UHFFFAOYSA-N

ID: 118454

SMILES:
c1c(CCCCC)cc2c(c1O)C1C=C(C)C(CC(=O)C(=C)C)C(C)(CC1(CC(C)=C)OC(=O)C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -15.463

InChIKey:
HBRHAAAATADQGG-UHFFFAOYSA-N

ID: 118455

SMILES:
c1(C2(C)C(=O)C(C)(C)C(=O)C2CO)c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -17.007

InChIKey:
NINXLTCUBFXSQS-UHFFFAOYSA-N

ID: 118456

SMILES:
CCCC(C)c1cc(O)c(C2CC(C)=CC(c3cc(O)ccc3OC)C2C(C)=C)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -15.929

InChIKey:
JPMQKRZBGSJDFJ-UHFFFAOYSA-N

ID: 118457

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 118458

SMILES:
O=C(OC)C1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.943

InChIKey:
CCMWHLPOQSRJEP-UHFFFAOYSA-N

ID: 118459

SMILES:
Oc1c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -18.934

InChIKey:
LDZQKZLPWVBJOB-UHFFFAOYSA-N

ID: 118460

SMILES:
c1(CCC(CC)O)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1C(=O)c1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.576

CB1 binding score: -14.294

InChIKey:
BVKYTPKTTIGEOK-UHFFFAOYSA-N

ID: 118461

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

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118441–118461 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