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Molecule Identifiers
Molecular Properties

ID: 141373

SMILES:
c1(CC=C(C)C)c(OC2(C(C)C)CCC(C)=CC2)cc2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.659

CB1 binding score: -11.789

InChIKey:
UHQMDZJNRMOCPB-UHFFFAOYSA-N

ID: 141374

SMILES:
C(c1cc(CCCCC)c(O)c2c1OC(C)(C)C1C2CC(C)=CC1)C=CC(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -11.745

InChIKey:
DNGQFWOWRBHFRL-UHFFFAOYSA-N

ID: 141375

SMILES:
CC12CC(O)(COC(=O)CCCCCCCCC)CC(=C)CCC3C(C)(CC1)Oc1cc(CCCCC)cc(O)c1C32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 582.866

CB1 binding score: -14.239

InChIKey:
USFINNFOHPEPTD-UHFFFAOYSA-N

ID: 141376

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)c(C(OC)=O)ccc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.788

InChIKey:
FPWGMUVLUJBCHX-UHFFFAOYSA-N

ID: 141377

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -20.344

InChIKey:
ZELUXPWDPVXUEI-UHFFFAOYSA-N

ID: 141378

SMILES:
C1(C)(C)C2C(C=C(C)C(=O)C2)c2c(cc(C)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -18.466

InChIKey:
OOSGYAFEZCZRRA-UHFFFAOYSA-N

ID: 141379

SMILES:
c1(O)c(O)c(CCC)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.36

InChIKey:
ZLFVBJCRBPVJKE-UHFFFAOYSA-N

ID: 141380

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.095

InChIKey:
QHVZLGLIPCDSKP-UHFFFAOYSA-N

ID: 141381

SMILES:
CC(C1CCC(C)CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.528

CB1 binding score: -18.883

InChIKey:
KKBNGEMFBFEYQN-UHFFFAOYSA-N

ID: 141382

SMILES:
C(C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)=O)CCC=CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -10.939

InChIKey:
PYEYCSJPRGUXSX-UHFFFAOYSA-N

ID: 141383

SMILES:
CC(=CC1c2cc(C(O)=O)c(CCCCC)cc2OC(C)(C)C1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.271

InChIKey:
BVDDNVKBOQTWTA-UHFFFAOYSA-N

ID: 141384

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc2C(=O)C(Cl)C(C)(CC2=O)CC=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 537.14

CB1 binding score: -15.037

InChIKey:
IJXVJCGYSGPZDJ-UHFFFAOYSA-N

ID: 141385

SMILES:
Cc1c(O)cc2c(c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.07

InChIKey:
JAQQPODSAWTCBC-UHFFFAOYSA-N

ID: 141386

SMILES:
C1(C)(C)Oc2c(c(CCCCC)cc(O)c2C#CC(OO)(C)C)CC1CCC(CO)=CCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.611

CB1 binding score: -16.438

InChIKey:
GJTVGXUFJVQFHX-UHFFFAOYSA-N

ID: 141387

SMILES:
c12c(O)cc(CCC)cc1C1CC(C)(C)OC1(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.929

InChIKey:
KQOJHKQSECAONR-UHFFFAOYSA-N

ID: 141388

SMILES:
CC(C1CCC(C)=CC1c1cc(CC=C(C)C)c(CC=C(C)C)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -13.274

InChIKey:
OXEFWEQFGVRFHB-UHFFFAOYSA-N

ID: 141389

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.151

InChIKey:
CSFMXHGREVFTON-UHFFFAOYSA-N

ID: 141390

SMILES:
O(CCC)c1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(CO)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -16.092

InChIKey:
UFVMKBRMNVVSAM-UHFFFAOYSA-N

ID: 141391

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -16.243

InChIKey:
IKUWJHOHFIBGMO-UHFFFAOYSA-N

ID: 141392

SMILES:
c1c2c(cc(C)c1CO)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -16.873

InChIKey:
NWTPKWGZQSPLGP-UHFFFAOYSA-N

ID: 141393

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -15.171

InChIKey:
JCTVQWLXCRNQLD-UHFFFAOYSA-N

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141373–141393 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