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Molecule Identifiers
Molecular Properties

ID: 122368

SMILES:
c1(O)c(C2C=C(C)C(O)CC2C(C)=C)cc(OC)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.84

InChIKey:
JMBHBZCBIBRGHV-UHFFFAOYSA-N

ID: 122369

SMILES:
CC1(C)C=Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 122370

SMILES:
C1CC(C)C2CC3c4c(O)cc(CCCCC)cc4OC2(C)C1O3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.058

InChIKey:
ZRZXHTWRRVVJCY-UHFFFAOYSA-N

ID: 122371

SMILES:
CC(c1cc(O)c2c(c1)OC(CC)(C)CC2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -15.522

InChIKey:
JEKOHHHRHZBEPY-UHFFFAOYSA-N

ID: 122372

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 122373

SMILES:
CC1=CC(c2c(O)cc(CCCCC)cc2C=O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.149

InChIKey:
WUYTZIKFFZROGP-UHFFFAOYSA-N

ID: 122374

SMILES:
CC12CC(C)=C(C(C)=O)CC1c1c(O)cc(C)cc1OC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.088

InChIKey:
GREQNTFRIDPMKL-UHFFFAOYSA-N

ID: 122375

SMILES:
O1c2c(OC)cc(CCCCC)cc2C2CC(C)=CC(=O)C2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.984

InChIKey:
YZYIPOYYHWXXTH-UHFFFAOYSA-N

ID: 122376

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CC3=C(C(C)C)C=CC1(C)CC32)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -14.587

InChIKey:
YZKNGJBQYUKBOE-UHFFFAOYSA-N

ID: 122377

SMILES:
Oc1cc(OC)c2c(c1CC=C(C)C)OC(C)(C)C1C2CC=C(C)C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.337

InChIKey:
AGZYPJVPKJNJQD-UHFFFAOYSA-N

ID: 122378

SMILES:
C1(C)=C2CCC(C)C=C2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.545

InChIKey:
HAYYGRXHYKSJIX-UHFFFAOYSA-N

ID: 122379

SMILES:
c12c(ccc(C)c1)C(C)(C)Oc1cc(CCCCC)cc(OC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -18.629

InChIKey:
YEDIZIGYIMTZKP-UHFFFAOYSA-N

ID: 122380

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(COC(C)=O)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.773

InChIKey:
ILHSUWMZKIAMCQ-UHFFFAOYSA-N

ID: 122381

SMILES:
Oc1c(C2C(C=C)C(C(C)(OC)C)CCC2C)c(O)cc(CCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.434

InChIKey:
UIWNWBPPTWBKLY-UHFFFAOYSA-N

ID: 122382

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3OC2=O)OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.875

InChIKey:
QMRFXMRACKCHLL-UHFFFAOYSA-N

ID: 122383

SMILES:
O=C1C2CC(O)C(=O)CC2(C)C2(c3c(cc(CCCCC)cc3OC)O1)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.671

CB1 binding score: -17.256

InChIKey:
YYYHAUROYLAAOU-UHFFFAOYSA-N

ID: 122384

SMILES:
C(C)OC(=O)c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -14.987

InChIKey:
YWCYSMAUNGSLAO-UHFFFAOYSA-N

ID: 122385

SMILES:
O1c2c(C)c3c(c(O)c2C2CC(C1(C)C)CCC2C)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -14.976

InChIKey:
YTHSCQZIARDJKA-UHFFFAOYSA-N

ID: 122386

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -18.365

InChIKey:
WVOLTBSCXRRQFR-UHFFFAOYSA-N

ID: 122387

SMILES:
C12=CC3(C)C(C(C)(C)OC(=O)C=C3)CC=C1C=C(C(O)(C)C)C(=O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.411

InChIKey:
JJWMWKBUHIERLH-UHFFFAOYSA-N

ID: 122388

SMILES:
c1(O)c(CC=C(CO)CCC=C(C)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.998

InChIKey:
YXQZQYZQJAXTEM-UHFFFAOYSA-N

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122368–122388 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