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Molecule Identifiers
Molecular Properties

ID: 132343

SMILES:
CC1CC(c2c(O)c3c(cc2OC)OC(C)(C)C=C3)C(C(CCC=C(C)C)C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -13.99

InChIKey:
QQVFVLLWAKCOHV-UHFFFAOYSA-N

ID: 132344

SMILES:
CC1(C)Oc2c(cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -16.68

InChIKey:
JNDZWTDJJHBKOB-UHFFFAOYSA-N

ID: 132345

SMILES:
C1(OC)(C)Cc2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -11.505

InChIKey:
HOMDFXICTOTWII-UHFFFAOYSA-N

ID: 132346

SMILES:
c1c(CCCCC)cc(CC2C=C(C)CC3OC(=O)C(C)=C3C2)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -16.279

InChIKey:
YAUMFOAFHIKTIV-UHFFFAOYSA-N

ID: 132347

SMILES:
c1(C)c(C2C=C(C)CCC2C(C)C)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.54

CB1 binding score: -16.502

InChIKey:
DCSMUXFOTPULGY-UHFFFAOYSA-N

ID: 132348

SMILES:
CC(C(C)=CC(C1C2(C)C(c3cc(O)ccc3O)(C(C)(C(C)C)OC2=O)CC1)O)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -16.502

InChIKey:
NOIWMONWMAWUOJ-UHFFFAOYSA-N

ID: 132349

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -17.878

InChIKey:
KRMPZHOEHTYDJK-UHFFFAOYSA-N

ID: 132350

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(C)(C)OC1C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -15.519

InChIKey:
JVVYNTNTGHKGIC-UHFFFAOYSA-N

ID: 132351

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 132352

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.908

InChIKey:
XKUSKYTWDSSQNW-UHFFFAOYSA-N

ID: 132353

SMILES:
C(CO)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -18.671

InChIKey:
HOQPFFNDTHVLJT-UHFFFAOYSA-N

ID: 132354

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(O)C(C)(C)OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.668

InChIKey:
NMXQMKBFCSNUSP-UHFFFAOYSA-N

ID: 132355

SMILES:
C(CC)CCCc1cc2c(c(O)c1)C1C(C(C)(CCC=C(C)C)O1)C(=O)CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -12.25

InChIKey:
ZXFLFLKFLCQQKO-UHFFFAOYSA-N

ID: 132356

SMILES:
Oc1c(C2C(C(O)(C)C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.637

InChIKey:
CHUDUQRJNYLFSG-UHFFFAOYSA-N

ID: 132357

SMILES:
O=C(NC)Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 371.521

CB1 binding score: -16.55

InChIKey:
QWPAZDMFPBNLEU-UHFFFAOYSA-N

ID: 132358

SMILES:
c1(OCC=C(C)CCC=C(C)C)c(O)cc(CCCCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.108

InChIKey:
HUOSBKDCWCFSDM-UHFFFAOYSA-N

ID: 132359

SMILES:
CC1C(O)C2C(C)(C)C2Cc2c(O)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.481

InChIKey:
PWTVLYLDOZLARA-UHFFFAOYSA-N

ID: 132360

SMILES:
CC1(C)C2C(c3c(O)cc(CCCCC)cc3OC2O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.332

InChIKey:
UMHLXEJDEQOYNB-UHFFFAOYSA-N

ID: 132361

SMILES:
C1C2(C)C(O)(c3c(cc(CCCCC)c(C=O)c3O)O1)C=CC(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -16.497

InChIKey:
ZRVUXKZFVNBTTP-UHFFFAOYSA-N

ID: 132362

SMILES:
C(Cc1c(O)c(C)cc(O)c1C1C(C(C)=C)CCC(C)=C1)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.735

InChIKey:
QMHUNCMLQIJELJ-UHFFFAOYSA-N

ID: 132363

SMILES:
C12(C)CCC(C)=CC1c1c(OC)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -19.457

InChIKey:
OAEUHIFCETUOSA-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties