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Molecule Identifiers
Molecular Properties

ID: 43744

SMILES:
CC(C(C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1)=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.191

InChIKey:
FPFMPMUKSWLRMB-UHFFFAOYSA-N

ID: 43745

SMILES:
c12c(OC)cc(CCCCC)cc1OC(C)(CCC=C(CCC=C(C)C)C)C(=O)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -13.687

InChIKey:
RKKUFLKKMPLICQ-UHFFFAOYSA-N

ID: 43746

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 43747

SMILES:
c1(C(CC(C)C)=O)c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.541

InChIKey:
LCYRQESIDXSBPB-UHFFFAOYSA-N

ID: 43748

SMILES:
COc1cc(CCCCC)cc(OC)c1C12C(C(C)(CCC=C(C)C)O1)C(OC(C)=O)C(C)=CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.66

CB1 binding score: -14.94

InChIKey:
BGFCJWMSHXULFV-UHFFFAOYSA-N

ID: 43749

SMILES:
C(CCC(=CCc1cc(O)c(CC(=O)C(CC)C)c(O)c1)C)=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -11.405

InChIKey:
UTRZZTCVTYJHAA-UHFFFAOYSA-N

ID: 43750

SMILES:
Cc1cc(O)c(NC(CC)C(CC)C)c2c1CC1C(C)(O2)CC=CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 371.565

CB1 binding score: -12.392

InChIKey:
FFRAUMNHBVFTQS-UHFFFAOYSA-N

ID: 43751

SMILES:
C12C(C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C1)CCC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.135

InChIKey:
OHIJAYFHKSVFDO-UHFFFAOYSA-N

ID: 43752

SMILES:
CC1(C(=O)OC)C=Cc2ccc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -15.348

InChIKey:
ZFLNJPTXRJTINV-UHFFFAOYSA-N

ID: 43753

SMILES:
c1(O)cc(CCCCC)c(O)c2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.622

InChIKey:
VUACIIASMNRNBB-UHFFFAOYSA-N

ID: 43754

SMILES:
C1C2c3c(O)cc(CC)cc3OC(C)(C)C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.023

InChIKey:
WEUCUXVUYBPJKD-UHFFFAOYSA-N

ID: 43755

SMILES:
C(CCC=C(CCC=C(C)C)C)(=CCc1c(O)cc(CCC)c(C(O)=O)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 400.559

CB1 binding score: -18.074

InChIKey:
XJNWDFKQIJOXOC-UHFFFAOYSA-N

ID: 43756

SMILES:
C(C=C(C)C)CC1(C=O)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.286

InChIKey:
KJDIXOUMTFHDAI-UHFFFAOYSA-N

ID: 43757

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.374

InChIKey:
VQMLGUBOUKNDJW-UHFFFAOYSA-N

ID: 43758

SMILES:
Cc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.913

InChIKey:
USHZBDBBZHEKPJ-UHFFFAOYSA-N

ID: 43759

SMILES:
CC(=CCC(=O)C1(C)CCC1C(=C)C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -13.114

InChIKey:
BDBLFSBCONDIEC-UHFFFAOYSA-N

ID: 43760

SMILES:
c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)OC)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.86

InChIKey:
OORXUJRDPOEEIU-UHFFFAOYSA-N

ID: 43761

SMILES:
CC1C2(C)C(C(=O)C(C(=C)C)CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.638

InChIKey:
VPCYSXKMJZABAV-UHFFFAOYSA-N

ID: 43762

SMILES:
Clc1c(O)ccc2c1C1C(C(C)(C)O2)CC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.752

CB1 binding score: -15.666

InChIKey:
MOKWMEPPSRLKER-UHFFFAOYSA-N

ID: 43763

SMILES:
C1(C(O)CCC(C)CO)(C)Oc2cc(CCCCC)cc(O)c2C=C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.564

CB1 binding score: -15.374

InChIKey:
PACAINZBSJEDKN-UHFFFAOYSA-N

ID: 43764

SMILES:
CCCCCc1c(O)cc(CC=C(C)CCC=C(C)C)cc1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.605

CB1 binding score: -11.68

InChIKey:
VOJQLZCGNKISQT-UHFFFAOYSA-N

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43744–43764 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