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Molecule Identifiers
Molecular Properties

ID: 75349

SMILES:
CC(C1C2CC(C)=CCC2c2c(cc(CCCCC)cc2O)O1)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.944

InChIKey:
LVNWYQCNIXDJJW-UHFFFAOYSA-N

ID: 75350

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 75351

SMILES:
C1CC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C3C2C(C)(C1)O3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -14.239

InChIKey:
UJXOQLLKYMPERX-UHFFFAOYSA-N

ID: 75352

SMILES:
CC1c2c(cc(C)c(O)c2)-c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -16.197

InChIKey:
OHDXBYOMIKYWHS-UHFFFAOYSA-N

ID: 75353

SMILES:
c1(Cl)c(CCCCC)cc(O)c2c1OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.914

CB1 binding score: -15.303

InChIKey:
KABCBMCWJDTGEV-UHFFFAOYSA-N

ID: 75354

SMILES:
C12C=C(C)C(=O)CC1C(C)(C)Oc1cc(CCCCC)c(O)c(C(CC)O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -12.17

InChIKey:
GVZRCFCCWMAFKU-UHFFFAOYSA-N

ID: 75355

SMILES:
C12C(CC(O)C1C)C1(C)Oc3c(c(O)cc(C)c3)C1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.251

InChIKey:
DYKRZDNMTXWXIE-UHFFFAOYSA-N

ID: 75356

SMILES:
C1(C)(C)C2C(C)=CC(=O)C13Oc1c(c(O)c(C(=O)O)c(CCCCC)c1)C3C(C=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -14.055

InChIKey:
FXFGBSLLTXXINM-UHFFFAOYSA-N

ID: 75357

SMILES:
C12C(C3C(C(CO)(C)Oc4cc(CCCCCCC)cc(O)c43)C3OC33C(C)CCC3(O)C(C)C1)COC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 542.713

CB1 binding score: -12.246

InChIKey:
HMVMPRRYMAXWPM-UHFFFAOYSA-N

ID: 75358

SMILES:
c1(CCCCC)cc2c(c(O)c1OC)C1=C(CC(C)(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.331

InChIKey:
ARCLRBJAOZXELI-UHFFFAOYSA-N

ID: 75359

SMILES:
c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1CC(O)C(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.289

InChIKey:
MZZIAVPIPGBQMC-UHFFFAOYSA-N

ID: 75360

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.415

InChIKey:
CLZMDUACPPVFTI-UHFFFAOYSA-N

ID: 75361

SMILES:
c12c(C3C(C(C)=C)CC(O)C(C)=C3)c(CC=C(C)C)c(O)c(C(=O)C(C)C)c1OC(C)(C)C(Cl)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 501.107

CB1 binding score: -16.207

InChIKey:
IBSKHEVGUGDQSH-UHFFFAOYSA-N

ID: 75362

SMILES:
C(C1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.176

InChIKey:
BJNNLQNKXZVKFU-UHFFFAOYSA-N

ID: 75363

SMILES:
c1cc(CCCC)cc2c1CC(C(O)(C)C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -15.626

InChIKey:
WKOYXIWAQLPUNI-UHFFFAOYSA-N

ID: 75364

SMILES:
O(C)c1cc2c(cc1O)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.716

InChIKey:
HINHHDLHKOVMSS-UHFFFAOYSA-N

ID: 75365

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1OC(C)(CC1)C(O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -16.158

InChIKey:
HVZWJWYLCGNKOK-UHFFFAOYSA-N

ID: 75366

SMILES:
c1c(O)c2c(cc1CCCCCC)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -18.696

InChIKey:
WUEBHOMMWUKSEU-UHFFFAOYSA-N

ID: 75367

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 75368

SMILES:
c1(CCCCC)cc(O)c2c(c1O)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.334

InChIKey:
AGCCFGXZUUPBIN-UHFFFAOYSA-N

ID: 75369

SMILES:
C12=C(CCC3(C)C1c1c(cc(CCCCC)c(C(=O)O)c1O)O3)C(C)(C)C(OC(C)=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.579

CB1 binding score: -15.813

InChIKey:
LKJCKQOGCCLEEZ-UHFFFAOYSA-N

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75349–75369 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