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Molecule Identifiers
Molecular Properties

ID: 63232

SMILES:
C(c1cc2c(c(O)c1OC)-c1c(O)cc(CCCCC)cc1OC2(C)C)(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.444

CB1 binding score: -16.015

InChIKey:
NNXXEARTJQWLQM-UHFFFAOYSA-N

ID: 63233

SMILES:
C1CC2=CC(C1)c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -13.522

InChIKey:
PRWHQDOSBYGQCZ-UHFFFAOYSA-N

ID: 63234

SMILES:
C1(C)=C[CH]CC(C)C1Cc1c(O)c(C(O)=O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 345.459

CB1 binding score: -16.271

InChIKey:
LPGSREIUWIWCMW-UHFFFAOYSA-N

ID: 63235

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(CCC(=O)CC(C)(C)C=C)(C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.484

InChIKey:
OEQOVIKSVYTQMC-UHFFFAOYSA-N

ID: 63236

SMILES:
CCCCCc1cc(O)c2c(c1C(=O)C1C(C)C(C)=CC(c3c(O)ccc(O)c3)C(CCC=C(CCC=C(C)C)C)(C)O1)nc2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 613.839

CB1 binding score: -17.706

InChIKey:
AFCLXTWTNVRXNU-UHFFFAOYSA-N

ID: 63237

SMILES:
C1(=O)C(C)=CCCC(C)=CCCC(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.699

CB1 binding score: -14.421

InChIKey:
YJALYYZNRNKDGP-UHFFFAOYSA-N

ID: 63238

SMILES:
C1(C)C2CCC(=O)C=C2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.855

InChIKey:
WUKUFSWAJZYZFG-UHFFFAOYSA-N

ID: 63239

SMILES:
C(=C(C)C)C(Oc1c(CCCCC)cc2c3c1OC(C)(C)C1CCC(C)(CC12)O3)C(C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.695

CB1 binding score: -16.737

InChIKey:
UREYMZHJTOMYCL-UHFFFAOYSA-N

ID: 63240

SMILES:
C1(=O)C2(C)CCC3C(C)(C)Oc4cc(CCCC)cc(O)c4C3C1C(O)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.196

InChIKey:
DCXGEDAJEMCXQT-UHFFFAOYSA-N

ID: 63241

SMILES:
c12c(O)c3c(cc1OCC2C)C1C(C(C)(C)O3)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.689

InChIKey:
SGADCSDMROARJB-UHFFFAOYSA-N

ID: 63242

SMILES:
C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

ID: 63243

SMILES:
O=C1C=C(C)CC2C(C1)C(C)(C)Oc1c2cccc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -15.553

InChIKey:
BUEPXYQHIYEAHP-UHFFFAOYSA-N

ID: 63244

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)c2c1C=CC(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.539

CB1 binding score: -15.929

InChIKey:
CMTNXAQOGYHGHY-UHFFFAOYSA-N

ID: 63245

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 63246

SMILES:
C(=C(CCC1(C)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C=C1C)C)CC1(C)Oc2c(c(O)cc(C)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 556.696

CB1 binding score: -14.361

InChIKey:
JXZPZDAXUZPNHA-UHFFFAOYSA-N

ID: 63247

SMILES:
c1c(CCCCC)cc2c(c1O)C1CC(=C)CCC1(O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.741

InChIKey:
UOUBSWFKQAUXQE-UHFFFAOYSA-N

ID: 63248

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 63249

SMILES:
c1(OC)c2c(c3c(c1)C=CC(OC)(C)C3)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.593

InChIKey:
DVRSHDNKOWYMFL-UHFFFAOYSA-N

ID: 63250

SMILES:
CC(=O)C1=C(C)CCC2C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -20.538

InChIKey:
JJTJJPMDOWEMDX-UHFFFAOYSA-N

ID: 63251

SMILES:
OC1(C)c2c(cc(C)cc2)-c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -16.43

InChIKey:
LSKIKMUPRQAFRB-UHFFFAOYSA-N

ID: 63252

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1(C)O2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.19

InChIKey:
MYRANVSAHFJRAM-UHFFFAOYSA-N

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63232–63252 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