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Molecule Identifiers
Molecular Properties

ID: 118336

SMILES:
C(CC=C(C)C)C1(C)C=Cc2c(cc(C(=O)O)c(CCC)c2O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.883

InChIKey:
QYHAKVOSJVOSRJ-UHFFFAOYSA-N

ID: 118337

SMILES:
C(CC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 118338

SMILES:
C(C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C)C=C(CCl)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.952

CB1 binding score: -15.526

InChIKey:
XHLTZOAOALJCFE-UHFFFAOYSA-N

ID: 118339

SMILES:
C12(C)CCC(C)C13Cc1c(O)cc(CCCCC)cc1OC(C23)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -12.769

InChIKey:
KWOAZWROJCVESJ-UHFFFAOYSA-N

ID: 118340

SMILES:
c12c(O)cc(CCC)cc1OC1C2C(C(C)C)CCC1(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.729

InChIKey:
QAMUCWBQNARAQQ-UHFFFAOYSA-N

ID: 118341

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 118342

SMILES:
c1(O)c2c(cc(CCCCC)c1)C(CC=C(C)C)C(C)=CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.169

InChIKey:
MGWDMBBQVCFLKA-UHFFFAOYSA-N

ID: 118343

SMILES:
c1(C)c(OC)c2c(cc1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.082

InChIKey:
AQMFFOFKHJATQT-UHFFFAOYSA-N

ID: 118344

SMILES:
CC(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 118345

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.385

InChIKey:
OEDPJGVWHANUAE-UHFFFAOYSA-N

ID: 118346

SMILES:
CC1(C)C2CC(O)C(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 118347

SMILES:
CC1CC2C(C1(C)C)Cc1c(ccc(C)c1)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -13.362

InChIKey:
BKHWQKOZRDNNEV-UHFFFAOYSA-N

ID: 118348

SMILES:
O1c2cc(CCCCC)cc(OC)c2C2CC1(C)CCC2C(C)=CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -16.067

InChIKey:
UDJZMBQAYOJZJY-UHFFFAOYSA-N

ID: 118349

SMILES:
C(CCCCCC1=C2C(CC(C)=CCCC(C)=CC2)C(O)=N1)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 343.555

CB1 binding score: -14.987

InChIKey:
NFLQEMMSYCWSPC-UHFFFAOYSA-N

ID: 118350

SMILES:
CC(=CCCC1(C)Oc2c(c(O)cc(CCC)c2)C=C1)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -18.68

InChIKey:
RFSBDKOBPVLAOQ-UHFFFAOYSA-N

ID: 118351

SMILES:
C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 118352

SMILES:
C(C)(C1C(c2c(O)cc(CCC)cc2O)C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 118353

SMILES:
C1(C)=CC(c2cc(CC(O)C(C)(O)C)oc2)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -14.254

InChIKey:
FABONJVLFBNDHW-UHFFFAOYSA-N

ID: 118354

SMILES:
C1(C(C)C)C(O)C(=O)C2(C)Oc3c(c(O)cc(C)c3)C2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -13.724

InChIKey:
VLEXLMZOLDQSIO-UHFFFAOYSA-N

ID: 118355

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 118356

SMILES:
C1C(O)CCC(O)(C)C2Oc3c(cc(CCCCC)cc3OC)C=C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.826

InChIKey:
PRWFINFYNKNONY-UHFFFAOYSA-N

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118336–118356 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