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Molecule Identifiers
Molecular Properties

ID: 107248

SMILES:
C1c2c(cc(O)c(Br)c2C)C2(O)Cc3c(O)cc(CCCCC)cc3OC2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 461.396

CB1 binding score: -17.743

InChIKey:
PZSABKZYZRPJPY-UHFFFAOYSA-N

ID: 107249

SMILES:
C1(=C)C(O)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.502

InChIKey:
HDNJNVPZXVJOMB-UHFFFAOYSA-N

ID: 107250

SMILES:
C1C2C(CO)(C)C2CC2(C)C(Cc3c(O)cc(CCCCC)cc32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -12.06

InChIKey:
UBUZCFMEUJKIFW-UHFFFAOYSA-N

ID: 107251

SMILES:
C1(C(=C)C(O)=O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.965

InChIKey:
VTQFTEYFUJSYDG-UHFFFAOYSA-N

ID: 107252

SMILES:
CC(=C1CCC(COO)=CC1c1c(OC)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -14.15

InChIKey:
CLGRZHRLWJDERI-UHFFFAOYSA-N

ID: 107253

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 107254

SMILES:
c1c2cc(CCCCC)cc1OC1(O)C2C(C(=C)C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.279

InChIKey:
OLVSOMDIXDBLJG-UHFFFAOYSA-N

ID: 107255

SMILES:
C1(C(C)=C)C2C(O)c3c(O)cc(CCCCC)cc3OC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.668

InChIKey:
LCDCTLQQQOLHNB-UHFFFAOYSA-N

ID: 107256

SMILES:
O(C)C(=O)c1cc(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc1CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -16.541

InChIKey:
RLIWTTSICYAMGN-UHFFFAOYSA-N

ID: 107257

SMILES:
c1(O)c2c(c(OC)cc1CCCCC)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.184

InChIKey:
YGWOHRPXNZQKOQ-UHFFFAOYSA-N

ID: 107258

SMILES:
c12c(O)c(CC=C(C)C)c(O)cc1C1C=C(C(OCC)=O)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.8

InChIKey:
GMCXYMZFRWWXCX-UHFFFAOYSA-N

ID: 107259

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC(C)=O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

ID: 107260

SMILES:
c1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 107261

SMILES:
c1(O)c(CCCCC)cc2c(c1)OC1(C)C(C2)CCC(C)(C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.504

InChIKey:
ZLFIRRBAQQBVPR-UHFFFAOYSA-N

ID: 107262

SMILES:
CC(=CCCc1cc2c(c(O)c1)C(=O)C(C)(C)CCC(CCCCC)C2)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -14.34

InChIKey:
DTLCILGAOGVLAT-UHFFFAOYSA-N

ID: 107263

SMILES:
C(CCCc1cc2c(c(O)c1)C1(C(C=CC=C(C)C)C(=O)CCC1C(=O)C)CO2)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -13.783

InChIKey:
VGTMHYVZTOMYMA-UHFFFAOYSA-N

ID: 107264

SMILES:
C(CCC)Cc1c(O)c(C2C=C(C)CCC2C(C)C)c(O)cc1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.447

InChIKey:
AHCUWDNETLHVAP-UHFFFAOYSA-N

ID: 107265

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -16.263

InChIKey:
JOJGSKHRMHVXLP-UHFFFAOYSA-N

ID: 107266

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 107267

SMILES:
C(c1c2c(c(C)cc1OC)OC(C)(C)C1CCC(C)(O)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.385

InChIKey:
CHYUOCSQXQVXGQ-UHFFFAOYSA-N

ID: 107268

SMILES:
C12(C)Oc3c(c(O)cc(CCC)c3)C1CC(C(=C)C)CC2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.334

InChIKey:
IUGXUFNYVLTEFE-UHFFFAOYSA-N

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107248–107268 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