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Molecule Identifiers
Molecular Properties

ID: 134107

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 134108

SMILES:
O=C(c1c(O)cc(CCCCC)cc1O)CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.45

InChIKey:
YCXDHNCJAHUUIJ-UHFFFAOYSA-N

ID: 134109

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 134110

SMILES:
Oc1c(C2=C(C=C)CCCC(C)(C)O2)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -10.127

InChIKey:
WMTAFBFWBHSYKK-UHFFFAOYSA-N

ID: 134111

SMILES:
CC1=CC2c3c(O)c(C(=O)O)c(CCC(O)CCCC)cc3OC2(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -17.361

InChIKey:
JYQMXNMTXZDFPN-UHFFFAOYSA-N

ID: 134112

SMILES:
c1([N+](O)=O)c(C(C)(C)C)cc2c(c1)OC(C)(C)C(OC)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.371

CB1 binding score: -13.522

InChIKey:
WKFWMQMGKJTVAV-UHFFFAOYSA-N

ID: 134113

SMILES:
c1c(OC)c(OCC=C(C=CC2C(C)(C)O2)C)c(OC)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -13.726

InChIKey:
OPPGPCFGDBJPLD-UHFFFAOYSA-N

ID: 134114

SMILES:
Cc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.94

InChIKey:
INWOVTWROQYLAP-UHFFFAOYSA-N

ID: 134115

SMILES:
CC1(O)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.734

InChIKey:
VXMHGIRKKJTGGL-UHFFFAOYSA-N

ID: 134116

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 134117

SMILES:
CCCCc1ccc(CC2C=C(C)C(O)CC2C(C)=C)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -13.031

InChIKey:
QGRBHMLFWPVTHM-UHFFFAOYSA-N

ID: 134118

SMILES:
C12C(C3C(O)CCC3(C)CC1)C(CO)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.482

InChIKey:
GXAJPJOGUGDTSB-UHFFFAOYSA-N

ID: 134119

SMILES:
Oc1cc(CCCCC)cc2c1C1OC(=O)C(C)=C1CC=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -16.178

InChIKey:
GCAPBTCJYKZCBR-UHFFFAOYSA-N

ID: 134120

SMILES:
C12C(C1(C)C)c1c(cc(CCCCC)cc1OC)OC(C)(C)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.308

InChIKey:
AVCZWRKSKTTZRA-UHFFFAOYSA-N

ID: 134121

SMILES:
C(C=C(C)C)CC(CCCC(=CCc1c(O)c(C)cc(O)c1)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.162

InChIKey:
GVVUQQWWMGBFAL-UHFFFAOYSA-N

ID: 134122

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)cc(O)c(C2OC(=O)C=C(C)C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -14.435

InChIKey:
LHRRGFGLTXUGFR-UHFFFAOYSA-N

ID: 134123

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(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: 134124

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.039

InChIKey:
FHKFIACQYLZJAM-UHFFFAOYSA-N

ID: 134125

SMILES:
OC(CO)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C(O)CC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -16.502

InChIKey:
CDMLINUDDVOASS-UHFFFAOYSA-N

ID: 134126

SMILES:
O=C(C)Oc1c(C2C(C(C)(O)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -19.385

InChIKey:
ZHYBIDSAXVEAES-UHFFFAOYSA-N

ID: 134127

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.998

InChIKey:
NACLLTLEEVTDLQ-UHFFFAOYSA-N

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134107–134127 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