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Molecule Identifiers
Molecular Properties

ID: 82909

SMILES:
CC1=CC2c3c(O)cc(C(C(C)O)(C)O)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.12

InChIKey:
VSYOPIFLDVPWRI-UHFFFAOYSA-N

ID: 82910

SMILES:
C12C(C)=CCC1C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.723

InChIKey:
WKFVIMFNRJVSJG-UHFFFAOYSA-N

ID: 82911

SMILES:
c1(O)c2c(ccc1)OC(C=CCCCCC)(CC=C(C)C)C(=O)C(C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.004

InChIKey:
XUBPMEUSQWYGBW-UHFFFAOYSA-N

ID: 82912

SMILES:
C12(C)C(Cc3c(cc(CCOC)cc3O)O1)C(C)(CCC1C(C)(C)C(OC(C)=O)CC=C1C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.622

CB1 binding score: -12.632

InChIKey:
LTNHBNCFOPARRI-UHFFFAOYSA-N

ID: 82913

SMILES:
c12cc(CCCCCC)cc(O)c1-C(C(O)=O)=CC1C(=O)C=C1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -14.194

InChIKey:
IEGDGUKWHQYCHO-UHFFFAOYSA-N

ID: 82914

SMILES:
c12c(ccc(OCCC)c1)OC(C)(C)C1CCC(C(O)=O)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.97

InChIKey:
AZITXUMYSOBLIV-UHFFFAOYSA-N

ID: 82915

SMILES:
Oc1cc(CC=C(C)C)c2c(c1)C1C(C(C)(C)O2)CC=C(C)CC1CC=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -17.148

InChIKey:
PCCLUUKAAGYWAR-UHFFFAOYSA-N

ID: 82916

SMILES:
CC(C)C1=CC(C(C)=C)CC(c2c(O)cc(CCCCCO)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -13.535

InChIKey:
NZPULDMMGVOUOF-UHFFFAOYSA-N

ID: 82917

SMILES:
c1(O)cc(C)cc2c1C(C)(CCC=C(CCC(=O)O)C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.62

InChIKey:
SCYRTAWJKVPSJS-UHFFFAOYSA-N

ID: 82918

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 82919

SMILES:
C1(c2c(O)cc(CCCCC)cc2)C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 82920

SMILES:
C12(C)Cc3c(O)cc(CCCCC)cc3OC13C(C(C)(C)C(C)C3=O)C(=O)C(C)(C)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -16.369

InChIKey:
RSIPUKQUNTYQGY-UHFFFAOYSA-N

ID: 82921

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)c(C(=O)C(CC)C)c(O)c(C=O)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Phloroglucinols

Class: Cannabinoids;Phloroglucinol-terpene hybrids

MW: 372.461

CB1 binding score: -17.19

InChIKey:
PCQGORPGJVHXJE-UHFFFAOYSA-N

ID: 82922

SMILES:
CC1(C)C2(C)C(C(Br)CC1O)c1c(OC)cc(CCCCC)cc1OC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 425.407

CB1 binding score: -14.546

InChIKey:
GRZBEDIBOLUIIK-UHFFFAOYSA-N

ID: 82923

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 82924

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.486

CB1 binding score: -19.258

InChIKey:
DYHMKBLKWFFFSZ-UHFFFAOYSA-N

ID: 82925

SMILES:
CC(=C)C(CCC1(C)C2CCC(C)C3C(c4c(cc(C)cc4O)OC3)C21)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.69

InChIKey:
XGZUCKHRGFOJNE-UHFFFAOYSA-N

ID: 82926

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 82927

SMILES:
c1(CCC)cc2c(c(O)c1)C1=C(C(C)(C)O2)CC(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.754

InChIKey:
CLGGMJVPIUGPSC-UHFFFAOYSA-N

ID: 82928

SMILES:
C1(C=C)(C)Oc2cc(CCC)cc(O)c2CC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -14.79

InChIKey:
BWGPBOCFSSFDGN-UHFFFAOYSA-N

ID: 82929

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -19.296

InChIKey:
GEMPDHCIWOATES-UHFFFAOYSA-N

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82909–82929 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