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Molecule Identifiers
Molecular Properties

ID: 96643

SMILES:
c1(C(CCCO)C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.527

InChIKey:
MVGPFVGKOCPPIO-UHFFFAOYSA-N

ID: 96644

SMILES:
O=C(OC)C12C(=C)C(C)CCC1Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.041

InChIKey:
YYLGDQXEVIFVPM-UHFFFAOYSA-N

ID: 96645

SMILES:
C1=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.296

InChIKey:
FZAGTOJLWTUWJG-UHFFFAOYSA-N

ID: 96646

SMILES:
C1=CCC(C)(C)C2C(O)Oc3c(c(O)cc(CCCCC)c3)C12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.26

InChIKey:
QNKKZURXVGAGAO-UHFFFAOYSA-N

ID: 96647

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC1C(CCC1=C)CCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -14.153

InChIKey:
BLTDMRPIKUCXAA-UHFFFAOYSA-N

ID: 96648

SMILES:
Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(C(C(COCC)=C)=O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.281

InChIKey:
MGJFMPQLMPNEEA-UHFFFAOYSA-N

ID: 96649

SMILES:
C12(C(CCC(C(O)(C)C)O)Cc3c(cc(C(C)C)c(C)c3)O1)CCC(O)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.59

CB1 binding score: -15.162

InChIKey:
ZLAZPNLBXOCJGD-UHFFFAOYSA-N

ID: 96650

SMILES:
C(CCC)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.048

InChIKey:
FUZJMTMPVZRGQF-UHFFFAOYSA-N

ID: 96651

SMILES:
CC1(C)C(CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C(=O)C2)=C(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.364

InChIKey:
IZGGHIDXYNTQCQ-UHFFFAOYSA-N

ID: 96652

SMILES:
Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 96653

SMILES:
C1(C)(C)C2C(c3c(cc(CCCCCO)cc3O)O1)CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.669

InChIKey:
WMDIVYZKMBVAFJ-UHFFFAOYSA-N

ID: 96654

SMILES:
C(c1cc2c(c(O)c1)CC1(C(C)CCC3C14CCC(O)C(C)(C)O4)C2(C)CC=C1OC13C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -15.945

InChIKey:
VUKRTLYEHHIHGR-UHFFFAOYSA-N

ID: 96655

SMILES:
COc1cc(O)c(C(OC)=O)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -16.821

InChIKey:
ZWSHDRYGDDSJQF-UHFFFAOYSA-N

ID: 96656

SMILES:
C1CC(C(C)=C)C(CCCO)C2(C)Oc3c(c(O)c(C(O)=O)c(CCCCC)c3)C(=O)C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.568

CB1 binding score: -16.015

InChIKey:
LJHBMDQTYSCEJF-UHFFFAOYSA-N

ID: 96657

SMILES:
C(C)Cc1cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.213

InChIKey:
UHLNEMXDLSJNQX-UHFFFAOYSA-N

ID: 96658

SMILES:
c12cc(C(=O)OC)c(CCCCC)cc1OC(C)(C)C1=C2C(=O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.155

InChIKey:
VRTTWAHJWSGTCT-UHFFFAOYSA-N

ID: 96659

SMILES:
C(C)C(C(C(=O)O)c1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.077

InChIKey:
WSNWTFXOCNXGPP-UHFFFAOYSA-N

ID: 96660

SMILES:
C1c2cc(C(O)=O)c(CCCCC)cc2OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.792

InChIKey:
ITLQRVSPPNOGLB-UHFFFAOYSA-N

ID: 96661

SMILES:
c1(CCCC)cc(O)cc(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.144

InChIKey:
YGFWQASRMDNATQ-UHFFFAOYSA-N

ID: 96662

SMILES:
c1c(OC)c2c(cc1C)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -20.378

InChIKey:
FHEGDZWZIHISBE-UHFFFAOYSA-N

ID: 96663

SMILES:
C12(CCC(CCCO)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -14.625

InChIKey:
SUWZPUZTQKAPQC-UHFFFAOYSA-N

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96643–96663 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