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Molecule Identifiers
Molecular Properties

ID: 141646

SMILES:
C(CCc1cc(O)c(C2C=C(C)C(O)O2)c(O)c1)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.984

InChIKey:
UCBOVILIJIIIDU-UHFFFAOYSA-N

ID: 141647

SMILES:
C1(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2OC)CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -16.675

InChIKey:
KAVBBTXBQGTASU-UHFFFAOYSA-N

ID: 141648

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.563

InChIKey:
CODIXLGYYWMJFS-UHFFFAOYSA-N

ID: 141649

SMILES:
Clc1c(CC(C)OCC)cc(O)c(C2C=C(C)CCC2C(C)=C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.914

CB1 binding score: -15.015

InChIKey:
KIFNFJVNHLYXEW-UHFFFAOYSA-N

ID: 141650

SMILES:
C(CCC(C)C)c1cc(OC)c(C2OCC(=CC)C2)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -15.172

InChIKey:
AXRFLYGWTBMXBP-UHFFFAOYSA-N

ID: 141651

SMILES:
C1(C)(C)OC1C(O)CC1(C)CCc2c(c(C)cc(O)c2)OC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -18.055

InChIKey:
DBEFAIOWRQOWOH-UHFFFAOYSA-N

ID: 141652

SMILES:
C1(C)(C)Oc2c3c(CCCC)cc(O)c2C2C(O)(CC=C(C)C2)C(C)(C)C3=C1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -14.757

InChIKey:
PWAYIPFORCIBEC-UHFFFAOYSA-N

ID: 141653

SMILES:
C1(O)CC(C(C)C)C2OC(C)(c3c(O)cc(CCCCC)cc13)CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -16.546

InChIKey:
PPAKYVFINVLZNM-UHFFFAOYSA-N

ID: 141654

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 141655

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 141656

SMILES:
CC(C)=C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.752

InChIKey:
JYJPXDDUJQGEJO-UHFFFAOYSA-N

ID: 141657

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C(=C)C)C(C=C(C)C)CC(C)C1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -15.45

InChIKey:
QOLUSDCWDUGADI-UHFFFAOYSA-N

ID: 141658

SMILES:
CC1=CC(c2c(O)cc(OC)cc2CCC(=O)C)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.444

InChIKey:
YDBOIRZCPYJZPA-UHFFFAOYSA-N

ID: 141659

SMILES:
C(C=C)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.535

CB1 binding score: -15.943

InChIKey:
XQLVYCAYKBFFNC-UHFFFAOYSA-N

ID: 141660

SMILES:
Clc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.779

CB1 binding score: -17.069

InChIKey:
MNLIZXWKVLEFDX-UHFFFAOYSA-N

ID: 141661

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C(O)CCC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.809

InChIKey:
ZLVXPWJJYLDVIH-UHFFFAOYSA-N

ID: 141662

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 141663

SMILES:
C1C(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 141664

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(CO)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.631

InChIKey:
UHHLVLLVGPKTKW-UHFFFAOYSA-N

ID: 141665

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)(C)O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 141666

SMILES:
c1(O)c(C2C(C(C)=C)CCC(C=O)=C2)cc(O)c(OC(=O)CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.603

InChIKey:
HSCGAZKCVQRCEW-UHFFFAOYSA-N

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141646–141666 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