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Molecule Identifiers
Molecular Properties

ID: 101305

SMILES:
CC1CC=C2C(C)(C)Oc3cc(C)cc(O)c3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -15.874

InChIKey:
KWSWABHSKOJXOO-UHFFFAOYSA-N

ID: 101306

SMILES:
C(CC)COc1c2c(c(C)cc1O)C=CC(C)(CCC=C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.46

InChIKey:
LLUQYEDLYRMMMH-UHFFFAOYSA-N

ID: 101307

SMILES:
C1(=O)C(C)=CC(c2cc(CCCCC)cc(O)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -14.09

InChIKey:
GIUAHQSEOGAKDF-UHFFFAOYSA-N

ID: 101308

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 101309

SMILES:
CC(C1C(c2c(O)cc(O)cc2CC=C(C)C)C1)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -13.123

InChIKey:
FUDWXNBAXZQIES-UHFFFAOYSA-N

ID: 101310

SMILES:
C12(C)C(C(C)(O)CC=C1)Cc1c(c(OCCCCCC)c(C)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.02

InChIKey:
PUEUCMRBYBAZHY-UHFFFAOYSA-N

ID: 101311

SMILES:
Oc1cc2c(c(O)c1CCCCC)OC(C)(CCC=C(CCC=C(C)C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.845

InChIKey:
LKOMMQOAUVHSCD-UHFFFAOYSA-N

ID: 101312

SMILES:
C1(C)(C)Oc2cc(CCC(=O)OCC=C(C)CCC=C(C)C)cc(O)c2CC=C(C)CCC=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.743

CB1 binding score: -17.844

InChIKey:
JCFLDQHOVYVBJT-UHFFFAOYSA-N

ID: 101313

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -20.718

InChIKey:
RGRVRWPXYHVOQC-UHFFFAOYSA-N

ID: 101314

SMILES:
CC1(C)C(CC=C(C)C)C1Cc1c(O)c(C=C(C)C)cc(C)c1CCc1ccc(O)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -13.12

InChIKey:
DTWQVQSJCIQABX-UHFFFAOYSA-N

ID: 101315

SMILES:
C1C(c2cc3c(cc2O)OC(C)(C)C2C3CC(C)=C2)OOC(C)(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.087

InChIKey:
PUHMDYWNCUHSAR-UHFFFAOYSA-N

ID: 101316

SMILES:
C1CC(C)(C)C2Cc3c(O)cc(CCCCC)cc3OC2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.783

InChIKey:
KPTGTVLDBMVBEX-UHFFFAOYSA-N

ID: 101317

SMILES:
c1(C(O)(CC)C)cc(O)c(C2CCC(CO)=CC2=O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -13.873

InChIKey:
BLEYZYQFZJURNB-UHFFFAOYSA-N

ID: 101318

SMILES:
c1c(CC=C(CCC=C(C)C)C)cc(O)c(O)c1CC(C(=C)C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -8.874

InChIKey:
DRNGFWXPIXIORF-UHFFFAOYSA-N

ID: 101319

SMILES:
C(C)(C(N)=O)=C1CC(C)C2(C(=O)c3c(O)cc(CCCCC)cc3O2)CC(O)C(C)(C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 445.556

CB1 binding score: -14.875

InChIKey:
FDJSSFRMXUYZBP-UHFFFAOYSA-N

ID: 101320

SMILES:
OC1c2c(O)cc(C)cc2OC(CCC2=CCCC(C)=C2)(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.436

InChIKey:
VKFKHBRGGOMXFF-UHFFFAOYSA-N

ID: 101321

SMILES:
C1CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -18.844

InChIKey:
PWPQLXXOFXROSJ-UHFFFAOYSA-N

ID: 101322

SMILES:
c1(C)c(-c2cc(C3C(C(=C)C)CCC(C)=C3)c(O)cc2O)ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.458

CB1 binding score: -12.362

InChIKey:
ACCYJYKJQGNNDX-UHFFFAOYSA-N

ID: 101323

SMILES:
c1c(CCOC2(O)OC(=O)C(C)=C2)cc(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -13.79

InChIKey:
XBGNQUZCMJEYQX-UHFFFAOYSA-N

ID: 101324

SMILES:
O(c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 101325

SMILES:
CC1=CC(c2c(O)cc(O)cc2CCCC)CC(C(=O)O)=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -14.298

InChIKey:
CPVXLNWMYWBHBK-UHFFFAOYSA-N

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101305–101325 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