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Molecule Identifiers
Molecular Properties

ID: 129718

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129719

SMILES:
Oc1cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C=O)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -15.723

InChIKey:
CGEXJUNVPGLZRU-UHFFFAOYSA-N

ID: 129720

SMILES:
c12ccccc1C(CCC1(C)OC(C)(C)CCC1)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.443

InChIKey:
JRTIEHLMIGWFFD-UHFFFAOYSA-N

ID: 129721

SMILES:
c12cc(CCCCC)cc(O)c1C1CC(C)(O2)CCC1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.625

InChIKey:
BWKILCAADQKHEH-UHFFFAOYSA-N

ID: 129722

SMILES:
Oc1cc(CCCCC)cc2c1C1C(=O)C(C)(C)C3(C1(C)C)CCC(C)C3C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.015

InChIKey:
HAGUUQQJRNMTJJ-UHFFFAOYSA-N

ID: 129723

SMILES:
C(CC)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(OC)C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.13

InChIKey:
GXOKFHKDSCLGTM-UHFFFAOYSA-N

ID: 129724

SMILES:
CC(C)(C1OC2C(C)(CC1)Oc1cc(CCCCC)cc(O)c12)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -18.084

InChIKey:
AGFSFZWFXKSNBM-UHFFFAOYSA-N

ID: 129725

SMILES:
c1(O)c2c(cc(C)c1)C1CC(=C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.538

InChIKey:
YGDCLGRXFVVPQZ-UHFFFAOYSA-N

ID: 129726

SMILES:
c12cc(CCCCC)cc(OC)c1C1CCC3C(C)(C)OC4CC(=O)OCC14C3(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -13.904

InChIKey:
NOCCTTLUATVOCX-UHFFFAOYSA-N

ID: 129727

SMILES:
C1(C(C)(C)O)CCC(O)(C)CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.499

CB1 binding score: -17.383

InChIKey:
UJNBSTGOYAQUHG-UHFFFAOYSA-N

ID: 129728

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.528

CB1 binding score: -18.883

InChIKey:
KKBNGEMFBFEYQN-UHFFFAOYSA-N

ID: 129729

SMILES:
O1c2c(c(O)c(C(=O)O)c(CCCCC)c2)C2C=C(C)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.189

InChIKey:
RJRFAZNGOFBYDV-UHFFFAOYSA-N

ID: 129730

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 129731

SMILES:
C(CCC(=CCc1c(O)cc(CCCCC)cc1O)C)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 129732

SMILES:
C1CC(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -17.898

InChIKey:
UTLOHIYXFFDSOJ-UHFFFAOYSA-N

ID: 129733

SMILES:
CC1CCC2(O)C(C(=O)c3c(O)cc(CCCCC)cc3O2)C1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.086

InChIKey:
ZSYLAABBFISJIP-UHFFFAOYSA-N

ID: 129734

SMILES:
COc1cc(CCCCC)cc2c1OC1C(C(O)C=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -11.987

InChIKey:
PNUWPTBSSBKUFJ-UHFFFAOYSA-N

ID: 129735

SMILES:
C1c2c3c(cc(OC)c2)OCC(C(C)(C)O3)CC(C(=C)C)=C1CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.99

InChIKey:
XFUIPOGOSZANNK-UHFFFAOYSA-N

ID: 129736

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(=C(C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.314

InChIKey:
CTUPXHOEXDMXQS-UHFFFAOYSA-N

ID: 129737

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -15.052

InChIKey:
OUKNWSNNCTZKDA-UHFFFAOYSA-N

ID: 129738

SMILES:
c1c2c(c(O)cc1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -19.859

InChIKey:
WRBRAMOWKIFTPD-UHFFFAOYSA-N

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129718–129738 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