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Molecule Identifiers
Molecular Properties

ID: 59767

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.57

InChIKey:
LURPWARMGYBTPS-UHFFFAOYSA-N

ID: 59768

SMILES:
c1(C=O)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -19.395

InChIKey:
VTKCSOVWESGERA-UHFFFAOYSA-N

ID: 59769

SMILES:
C(=O)(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -19.106

InChIKey:
DEWSJDIJFWQLOA-UHFFFAOYSA-N

ID: 59770

SMILES:
CC(=CCCC(O)(c1c(O)cc(CCCCC)cc1O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -16.944

InChIKey:
IVZRMOLSYRTLLL-UHFFFAOYSA-N

ID: 59771

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 59772

SMILES:
C(c1cc2c(c(O)c1)C1C(C(O)(C)C)C(C)(C(=O)C=C1)C2)CCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -13.027

InChIKey:
XOBGUDFFQAKIKY-UHFFFAOYSA-N

ID: 59773

SMILES:
C1(O)C(C)=CCC2c3c(cc(CCCCC)cc3O)OC(O)(C)C2=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.041

InChIKey:
NFBLAZHJIZBJPM-UHFFFAOYSA-N

ID: 59774

SMILES:
CC1=CCC(C)C(=C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.963

InChIKey:
GAFSNFLNCDYAGO-UHFFFAOYSA-N

ID: 59775

SMILES:
C(C1=CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3)CC1)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -16.257

InChIKey:
FIDWZXCCZXWVRR-UHFFFAOYSA-N

ID: 59776

SMILES:
C1CC2(C)Oc3c(c(OC(C)=O)c(O)cc3CCCCC)CC2C(=C)C(CC=C(C)C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -16.604

InChIKey:
RAPPDUJYVYZIFC-UHFFFAOYSA-N

ID: 59777

SMILES:
C(Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 59778

SMILES:
CC1(C)C=Cc2cc(OC)cc(CCCCC)c2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -18.545

InChIKey:
VRXPQYOHNXMNLC-UHFFFAOYSA-N

ID: 59779

SMILES:
Cc1c(O)c(CC(O)C(O)(C)C)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -16.847

InChIKey:
KZBJIYMADKWVRF-UHFFFAOYSA-N

ID: 59780

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.334

InChIKey:
MNUBYOPTBHHAIM-UHFFFAOYSA-N

ID: 59781

SMILES:
CCCCCc1c(C(CCO)=O)c(O)c2c(c1)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.428

CB1 binding score: -14.654

InChIKey:
PSCCHZMRBVZQAM-UHFFFAOYSA-N

ID: 59782

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C3(C)CCCC(C(OC)=O)(C)C3CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -15.202

InChIKey:
WTXAZHCIJOGDND-UHFFFAOYSA-N

ID: 59783

SMILES:
c1(O)cc2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.716

InChIKey:
MMMBBXWSLJXQAV-UHFFFAOYSA-N

ID: 59784

SMILES:
c12c(ccc(C)c1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 59785

SMILES:
O=C1Cc2c(O)cc(CCCCC)cc2OC1(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.89

InChIKey:
ZFMLWVQALKDKCX-UHFFFAOYSA-N

ID: 59786

SMILES:
Oc1cc(CC(C)C)c(O)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.527

InChIKey:
RNNOAWXGGMTMGX-UHFFFAOYSA-N

ID: 59787

SMILES:
C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C1C(C(C)(C)O2)CC(C(=C)C)CC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -17.937

InChIKey:
XRTYGQBFBPYKER-UHFFFAOYSA-N

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59767–59787 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