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Molecule Identifiers
Molecular Properties

ID: 136522

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C1=C)CC=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -14.336

InChIKey:
KPBACMOGEZPBJI-UHFFFAOYSA-N

ID: 136523

SMILES:
C12C(C=C(C)CC1)c1c(cc(CCCCCCC)cc1OC)OC(C)(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.985

InChIKey:
BFWPBCQBLMWQAS-UHFFFAOYSA-N

ID: 136524

SMILES:
C1(C)(C)Oc2cc(C)cc(O)c2C2C1OCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -15.544

InChIKey:
AFOMBONBKHFPRW-UHFFFAOYSA-N

ID: 136525

SMILES:
c1(C)cccc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.764

InChIKey:
VCTOYXGKNMVKJN-UHFFFAOYSA-N

ID: 136526

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1=O)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -13.33

InChIKey:
OHZCEXZBCGHDLT-UHFFFAOYSA-N

ID: 136527

SMILES:
C(CCc1cc2c(c(O)c1)C1C(=C2C)CC(C)(C)C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -15.624

InChIKey:
YSCHUIBJBZTPQL-UHFFFAOYSA-N

ID: 136528

SMILES:
CC1=CC2C(C(CCl)(C)Oc3c(c(O)cc(C)c3)C2=O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.816

CB1 binding score: -16.742

InChIKey:
DERFIXJUSDEJAA-UHFFFAOYSA-N

ID: 136529

SMILES:
CC1(C)C2=CCC(C)CC2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.788

InChIKey:
GAWDEFPGLKPBKF-UHFFFAOYSA-N

ID: 136530

SMILES:
C(Cc1cc2c(cc1)C1CC(C(C)=C)CCC1(C)O2)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -13.613

InChIKey:
FGOTUKKRJODFPA-UHFFFAOYSA-N

ID: 136531

SMILES:
C1=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 136532

SMILES:
CC(C1C(OC(CO)=O)C(OC(=O)C)C(C)=CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.583

CB1 binding score: -14.692

InChIKey:
UVCWLHDXMZKPRT-UHFFFAOYSA-N

ID: 136533

SMILES:
CC1(O)Cc2c(O)cc(CCCCC)cc2OC1(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.316

InChIKey:
RFUSCOSBSPEDLB-UHFFFAOYSA-N

ID: 136534

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2C)CC2C(C)(O2)CC(OC(=O)C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.546

CB1 binding score: -15.635

InChIKey:
AJCPKSRZGBYSBO-UHFFFAOYSA-N

ID: 136535

SMILES:
C1=CC(c2cc3c(cc2)OC(C)(C)C2C3C(C(=O)OC)CC2)CC(C)(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -13.996

InChIKey:
LKHPYBIBPMABHD-UHFFFAOYSA-N

ID: 136536

SMILES:
CC1(C)Oc2c(OC)cc(CCCCC)cc2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.253

InChIKey:
GUKVLMTZLHYXOE-UHFFFAOYSA-N

ID: 136537

SMILES:
C1C2(C)C(=CC=C(C)C1)oCc1c(O)cc(C)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -15.929

InChIKey:
SEFXHWAAJYHBAU-UHFFFAOYSA-N

ID: 136538

SMILES:
C12C(CC(O)C)CC(CC)(C)CC1c1c(cc(O)cc1OC)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.962

InChIKey:
RSFYCLLMNCLUPS-UHFFFAOYSA-N

ID: 136539

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -17.429

InChIKey:
OOAVWYOYGYEXHP-UHFFFAOYSA-N

ID: 136540

SMILES:
C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 136541

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C(=O)C2(O)C1CCC(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -13.027

InChIKey:
LYVLEDFFRFNRAU-UHFFFAOYSA-N

ID: 136542

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)CC2(C)OC2CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.121

InChIKey:
VDADJRCSZBMNGG-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