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Molecule Identifiers
Molecular Properties

ID: 75223

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 75224

SMILES:
C(O)(CO)c1c(C)c2c(cc1CO)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.072

InChIKey:
FIJPVCVGBYIMJK-UHFFFAOYSA-N

ID: 75225

SMILES:
C123Oc4c(c(C)cc(O)c4)CCC1(C)C(CC=C2C)C(C)(C)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -12.653

InChIKey:
LMNFYENOOWFJAG-UHFFFAOYSA-N

ID: 75226

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1=Cc3cc(O)c(C)cc3C(=O)C1=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.506

CB1 binding score: -15.337

InChIKey:
BYMRNFMYSSMLST-UHFFFAOYSA-N

ID: 75227

SMILES:
Oc1c(CCCCC)cc2c(c1O)C1C(C)(CCC1C(C)=C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.07

InChIKey:
AFZUBMHCZURWCV-UHFFFAOYSA-N

ID: 75228

SMILES:
CC1=CC2c3c(cc(CCCCC)c(O)c3C(C(C)C)=O)OC2CC1(C)C=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.813

InChIKey:
PAZKQMHJJASLQZ-UHFFFAOYSA-N

ID: 75229

SMILES:
Oc1c(O)c(CCCC)cc2c1C(=O)C1=C(OC(C)(C)C3CCC(C)=CC13)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -15.52

InChIKey:
FYRMCVQICRNROU-UHFFFAOYSA-N

ID: 75230

SMILES:
C1C2(C(C)(C)O2)C(=O)Oc2c1cc(CCCCC)cc2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -15.548

InChIKey:
GZTMUAAHVJFEDW-UHFFFAOYSA-N

ID: 75231

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C(O)=O)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 75232

SMILES:
O1C2(c3c(cc(OC)cc3O)OC2(CO)C)CC(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.358

CB1 binding score: -16.402

InChIKey:
OOJDHORHAOKMIT-UHFFFAOYSA-N

ID: 75233

SMILES:
CC1=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 75234

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 75235

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 75236

SMILES:
CC(=C)C1Cc2c(c(O)cc(CCCCC)c2)C(O)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -14.461

InChIKey:
JABHAXKTALAKFR-UHFFFAOYSA-N

ID: 75237

SMILES:
C1CC(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 75238

SMILES:
C(Cc1c(CCCCC)cc2c(c1O)C1C(CCC(CO)=C1)C(C)(C)O2)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.319

InChIKey:
KTTSNDSRCCMQOU-UHFFFAOYSA-N

ID: 75239

SMILES:
O1c2c(c(O)cc(CCCC)c2)C2=CCC1(C)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.32

InChIKey:
ZVEPOGJQWFXVLH-UHFFFAOYSA-N

ID: 75240

SMILES:
O(c1cc(CCCCC)cc(O)c1C1CC(C)=CCC1C(C)(C)O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.818

InChIKey:
RLQNVODOTICMGU-UHFFFAOYSA-N

ID: 75241

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.369

InChIKey:
UZGPMGSNNVJGFX-UHFFFAOYSA-N

ID: 75242

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C(=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.752

InChIKey:
GSVGMOCCLSUZSA-UHFFFAOYSA-N

ID: 75243

SMILES:
O=CC12C(c3c(O)c(C(=O)OC)c(CCCCC)cc3O1)OC(C)(C)C1C2C(O)C(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.551

CB1 binding score: -12.927

InChIKey:
BMZNKRPLMITOKX-UHFFFAOYSA-N

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75223–75243 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