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Molecule Identifiers
Molecular Properties

ID: 132280

SMILES:
CC1(C)C2CC=C(C)CC2c2c(c(O)cc(CCCCC)c2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.779

InChIKey:
ZSDJPGLYWNHCIW-UHFFFAOYSA-N

ID: 132281

SMILES:
CC1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 132282

SMILES:
CC1(C)Oc2c(OC)cc(CCCCCC)cc2C2(O)C1CCC(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -16.963

InChIKey:
XMCGOIMGWGAUSN-UHFFFAOYSA-N

ID: 132283

SMILES:
C1CC(C)=CC1c1c(OC)cc(O)c2c1OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -13.281

InChIKey:
XZPZJWOHZQQFQS-UHFFFAOYSA-N

ID: 132284

SMILES:
C12CC(O)(C(=C)C)CCC1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.015

InChIKey:
ASQMQAZHIHCVML-UHFFFAOYSA-N

ID: 132285

SMILES:
CCCCCc1cc(O)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.677

InChIKey:
YWEZXUNAYVCODW-UHFFFAOYSA-N

ID: 132286

SMILES:
C1(C)=CC(c2cc(CCCC)cc(OC)c2O)C(O)(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.816

InChIKey:
WTYLPRCWJIVWFD-UHFFFAOYSA-N

ID: 132287

SMILES:
C12(c3c(cc(CCCCC)cc3O)O1)CC(C(O)(C)CO)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -13.877

InChIKey:
OJFWYDKZQJAVBL-UHFFFAOYSA-N

ID: 132288

SMILES:
C(CCCCC)(=O)CCc1c(OC)c2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.894

InChIKey:
AQYQWNCNCUYTBK-UHFFFAOYSA-N

ID: 132289

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C(C(C)(CCC3OC3(C)C)CCC1(C)O)=C1C(=O)C=C(OC)C(O)C1C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 566.779

CB1 binding score: -14.578

InChIKey:
HGLLJWQOVGOSKV-UHFFFAOYSA-N

ID: 132290

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 132291

SMILES:
CC1(C)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.783

InChIKey:
KPTGTVLDBMVBEX-UHFFFAOYSA-N

ID: 132292

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132293

SMILES:
c1cc(CC(C)C)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -18.268

InChIKey:
SDCDDOXNXVYSEI-UHFFFAOYSA-N

ID: 132294

SMILES:
c12c(n(C)cn1)cc(CCCCC)c1c2OC(C)(C)C2CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.522

CB1 binding score: -12.326

InChIKey:
XYKWNJIQFPYXPZ-UHFFFAOYSA-N

ID: 132295

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 132296

SMILES:
C1CC(C(C)=C)c2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.378

CB1 binding score: -16.221

InChIKey:
FWPIHKGFEIIMSJ-UHFFFAOYSA-N

ID: 132297

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C3C(=CCC(C(C)=C)OC13)C(=O)C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -15.749

InChIKey:
SAASVTKWCUPZMT-UHFFFAOYSA-N

ID: 132298

SMILES:
C1CC(C)=CC(c2c(O)cc(CCC)cc2OC)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 132299

SMILES:
C1(C)=CCC(C(C)=C)C(c2c(O)c(CCCCC)cc(O)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.712

InChIKey:
RAKLUWBYDLBICL-UHFFFAOYSA-N

ID: 132300

SMILES:
C1CC(C)=C(c2c(O)c(O)cc(CCCCC)c2)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -13.076

InChIKey:
ZNANREALNGLCEB-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