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Molecule Identifiers
Molecular Properties

ID: 79801

SMILES:
C(CC12C(=O)C3=CC(C(C)(C)O1)CC(C(C)=C)C3C=C(C)C2)C(C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.85

InChIKey:
REOJBAFMAIUYRO-UHFFFAOYSA-N

ID: 79802

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 79803

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.781

InChIKey:
CTZSPTCATADZMP-UHFFFAOYSA-N

ID: 79804

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC1(C2=O)C2C(C)(CC1)C(O)CCC2=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.289

InChIKey:
INFHQLZWHXBDFS-UHFFFAOYSA-N

ID: 79805

SMILES:
CCCCCCc1cc(O)cc2c1C(=O)OC(C)(C)C1C2CC(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.435

InChIKey:
GNZLSCQWEIKKRK-UHFFFAOYSA-N

ID: 79806

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C)(CCC1C(C)(O)CO)O2)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.041

InChIKey:
VMIXQOHUDPOKRM-UHFFFAOYSA-N

ID: 79807

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(O)cc(O)c(C(=O)CC(C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -19.167

InChIKey:
CFZLDEROOCUHHL-UHFFFAOYSA-N

ID: 79808

SMILES:
Cc1ccc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 79809

SMILES:
C(CC)CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

ID: 79810

SMILES:
C1(O)(C)CC(C(C)C)CC2c3c(cc(CCCCC)cc3O)OC(C2)C(C)=CCC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -16.193

InChIKey:
IWRXGHVGAFEXHB-UHFFFAOYSA-N

ID: 79811

SMILES:
CC1(Cl)CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.94

CB1 binding score: -12.698

InChIKey:
MMUACADPRFXNEU-UHFFFAOYSA-N

ID: 79812

SMILES:
C(=CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.996

InChIKey:
YEVKELCVCFROQX-UHFFFAOYSA-N

ID: 79813

SMILES:
CCCCCCC(CCc1cc(O)c2c(c1)OC(c1cc(CC=C(C)CCC=C(C)C(O)CC=C(C)C)c(O)cc1)C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 588.873

CB1 binding score: -15.202

InChIKey:
GJQGLIKNOCLARJ-UHFFFAOYSA-N

ID: 79814

SMILES:
CC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 79815

SMILES:
C1CC(Cl)C(C)(C)Oc2cc(CCCCC)c(C=O)c(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.848

CB1 binding score: -15.717

InChIKey:
WRMYVKTVTHZVHT-UHFFFAOYSA-N

ID: 79816

SMILES:
c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 79817

SMILES:
COc1c(CC=C(C)CCC=C(C)C)c(OC)c2c(c1)C1CC(C(C)=C)CCC(C)=C1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.664

CB1 binding score: -17.787

InChIKey:
AYOSXSDEHYTRCM-UHFFFAOYSA-N

ID: 79818

SMILES:
c12c(cc(C(C)(C)CCCCCC)cc1O)OC(C)(C)C1=C2C(C)(O)OC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.18

InChIKey:
BJWPIEVAYRPKOC-UHFFFAOYSA-N

ID: 79819

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(O)CO1)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.764

InChIKey:
HSMFMDGSWZKDMK-UHFFFAOYSA-N

ID: 79820

SMILES:
C=C(C1CCC2=CC(CC3(C)Oc4cc(O)cc(C)c4CC3C(CC)=C2)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -12.448

InChIKey:
WMOYLRWBXLFTMW-UHFFFAOYSA-N

ID: 79821

SMILES:
C=C(C1CCC(C)=CC1c1c(O)cc(CCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

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79801–79821 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