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Molecule Identifiers
Molecular Properties

ID: 66613

SMILES:
C(=CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: Not available

InChIKey:
ZHVHUUPLRUWVNT-UHFFFAOYSA-N

ID: 66614

SMILES:
C12C(C)(C)CCCC1(C)Oc1cc(O)cc(CCCCC)c1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.929

InChIKey:
JQQYMGLHSSKNCM-UHFFFAOYSA-N

ID: 66615

SMILES:
CCCCCCc1cc2c(c(O)c1)C1C(C(O)(C)CCC=C(C)C)(C3C(C)=CCC1C3O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.651

CB1 binding score: -14.922

InChIKey:
WDCOYVXNONLASO-UHFFFAOYSA-N

ID: 66616

SMILES:
C(CC1(C)Oc2cc(O)cc(C)c2C2C=C(CO)CCC21)CC=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -14.347

InChIKey:
NKMRPIIXSJROBQ-UHFFFAOYSA-N

ID: 66617

SMILES:
CC(=O)OOC1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -13.165

InChIKey:
SSMXGFRVEIVFQV-UHFFFAOYSA-N

ID: 66618

SMILES:
Oc1c2c(ccc3c2CCC(C)(CC=C(C)C)O3)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -14.337

InChIKey:
RMOZBMZOXAOQRN-UHFFFAOYSA-N

ID: 66619

SMILES:
CC1=CC(=O)C(C(=C)C)C2c3cc(CCCCC)cc(O)c3C1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -11.811

InChIKey:
RASBVSXMBJULJA-UHFFFAOYSA-N

ID: 66620

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1)(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -19.697

InChIKey:
PEMQMHHORTVFLM-UHFFFAOYSA-N

ID: 66621

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 66622

SMILES:
CC1(C)OC2=C(C)C(=O)C3=C(C2=O)OC(C)(C)C2C3C=C(C)CC2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -11.276

InChIKey:
CFBIQPKOHJGKQU-UHFFFAOYSA-N

ID: 66623

SMILES:
C1CC2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 66624

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 66625

SMILES:
C1C(C)=C(C(CC(C)=CCc2c(O)c(C)cc(OC)c2)O)C(C(C)(O)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -13.737

InChIKey:
RBXAGUKRWMVXQG-UHFFFAOYSA-N

ID: 66626

SMILES:
c1(CCCCC)c(O)cc2c(c1O)C1CC(C)(O2)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.571

InChIKey:
PODFMQLFZHJNGL-UHFFFAOYSA-N

ID: 66627

SMILES:
C1(O)C(Oc2c(CC=C(C)C)c(O)cc(CCC)c2)OC(CO)C(O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.453

CB1 binding score: -16.751

InChIKey:
OFSMJMSYDYGARU-UHFFFAOYSA-N

ID: 66628

SMILES:
c1(C(=O)O)ccc2c(c1C)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.502

InChIKey:
GBZPRWFMDASAJY-UHFFFAOYSA-N

ID: 66629

SMILES:
CC(CCc1c(C)c(O)c2c(c1)OC(C)(C)C(O)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -15.966

InChIKey:
QUFOVOKZTSFNMV-UHFFFAOYSA-N

ID: 66630

SMILES:
C12(C)CCCC(C)(C)C1c1c(cc(CCCCCO)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.941

InChIKey:
BWPGPHXKURAWFU-UHFFFAOYSA-N

ID: 66631

SMILES:
C1CC(C(C)C)C2c3c(c(C(=O)C(CC)C)c(O)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.178

InChIKey:
IONIJVHDIBRUHF-UHFFFAOYSA-N

ID: 66632

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 66633

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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66613–66633 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