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Molecule Identifiers
Molecular Properties

ID: 136249

SMILES:
CC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 136250

SMILES:
C1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CCC1(C=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.091

InChIKey:
BIDZRSZOKJXNBO-UHFFFAOYSA-N

ID: 136251

SMILES:
C(CCCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 136252

SMILES:
C1(C)=CCC2C1(OO)C(CC(C(Cl)(C)C)O)C1(C(Br)C(C)=CC1c1c(O)cc(CCCCC)cc1O)CO2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 614.017

CB1 binding score: -13.603

InChIKey:
XKDPBSYYKDSKOF-UHFFFAOYSA-N

ID: 136253

SMILES:
c1c(O)c(=O)c2c(cc1CCCC)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.818

InChIKey:
XYGWLPZAVLTCLG-UHFFFAOYSA-N

ID: 136254

SMILES:
c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.068

InChIKey:
CPZWKXRSBORARS-UHFFFAOYSA-N

ID: 136255

SMILES:
CCCc1cc(O)cc2c1OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.579

InChIKey:
FNSJYNGRQSLXJG-UHFFFAOYSA-N

ID: 136256

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 136257

SMILES:
C(CC(=CCc1c(O)cc(CCCCC)cc1OC)C)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.863

InChIKey:
CSIUYQUCPARJKT-UHFFFAOYSA-N

ID: 136258

SMILES:
CC12C(O)CC(C)(C#C)CC1c1c(cc(C)cc1O)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -15.663

InChIKey:
OTNYVVGDPAWQRJ-UHFFFAOYSA-N

ID: 136259

SMILES:
Oc1cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 136260

SMILES:
c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 136261

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(COC(c2ccccc2)=O)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.576

CB1 binding score: -18.675

InChIKey:
HIDBWRUCPXEWNL-UHFFFAOYSA-N

ID: 136262

SMILES:
c1(OC)c(O)c(C)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.249

InChIKey:
BCELDCLXKODAIY-UHFFFAOYSA-N

ID: 136263

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC(C)=CCC12O)C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.495

InChIKey:
LJCPNRGBSHIRSV-UHFFFAOYSA-N

ID: 136264

SMILES:
CC1(C)C(C=CC(C)=CC2c3c(O)cc(CCCCC)cc3OC2C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.651

InChIKey:
FLXHEHRCPYDABD-UHFFFAOYSA-N

ID: 136265

SMILES:
c1(O)cc(C2C=C(CCC=C(C)C)C(=O)OC2)c(OC)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.309

InChIKey:
ALQVIVYBZONUEM-UHFFFAOYSA-N

ID: 136266

SMILES:
C1C(C([CH])C)C(OCC(O)c2c(O)c(C)cc(OC)c2)CC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -12.952

InChIKey:
NDAYTSLSWFDKMX-UHFFFAOYSA-N

ID: 136267

SMILES:
O(c1cc(O)cc(C)c1C1C(C(=C)C)CCC(C)=C1)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -12.802

InChIKey:
ZOLVOBXYUITGBA-UHFFFAOYSA-N

ID: 136268

SMILES:
C(C)C1c2c(cc(C)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 206.285

CB1 binding score: -15.427

InChIKey:
JGRCUKWJWSUGOK-UHFFFAOYSA-N

ID: 136269

SMILES:
c1(C)cc(OC(C(C)C)=O)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.42

CB1 binding score: -15.12

InChIKey:
AJKYEMUKRZAHKD-UHFFFAOYSA-N

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136249–136269 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