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Molecule Identifiers
Molecular Properties

ID: 136207

SMILES:
O=c1c(C)c(CCCCC)cc(O)c2c1OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.633

InChIKey:
ABIBQRUBXUPIEB-UHFFFAOYSA-N

ID: 136208

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)c2c(cc1O)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Prenyl quinone meroterpenoids

MW: 396.571

CB1 binding score: -16.544

InChIKey:
HVJUYXLWVJELKA-UHFFFAOYSA-N

ID: 136209

SMILES:
O1C2(C)CCC(C(C)C)C(c3c(O)cc(CCC)cc3O2)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -14.541

InChIKey:
DKQJZSJDCDPFIU-UHFFFAOYSA-N

ID: 136210

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.502

InChIKey:
YNTGLFMLFOFKJS-UHFFFAOYSA-N

ID: 136211

SMILES:
c1c2c(c(OC)cc1CCOC(=O)C)OC(CCC=C(C)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.821

InChIKey:
OBCXXVASZMWFBY-UHFFFAOYSA-N

ID: 136212

SMILES:
C1(C)(C)C2CC(C)(C3(c4c(ccc(O)c4)OC3(C)C)O2)C1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.727

InChIKey:
FPFGXWLXDCUCEP-UHFFFAOYSA-N

ID: 136213

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(C(=C)C)C(C)(C=C)CC1CC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.6

CB1 binding score: -13.764

InChIKey:
OVTUBFOIODZIOA-UHFFFAOYSA-N

ID: 136214

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 136215

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 136216

SMILES:
CC(C1Oc2c(c(O)cc(CCC)c2)C2(CC(=O)O)C(=O)C1(CC=C(C)C)CC=C(C)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -13.672

InChIKey:
UDAHMIDNLRXTSC-UHFFFAOYSA-N

ID: 136217

SMILES:
CC(C)C1CCC(C)CC1c1c(O)cc(CCCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.502

CB1 binding score: -17.372

InChIKey:
ACOLREACBPQROW-UHFFFAOYSA-N

ID: 136218

SMILES:
CC(C)(C(OC(C)=O)CC1C(C)(C)O1)C1=C(c2ccccc2)CC=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: Not available

InChIKey:
DUXPLAUDJNOQOM-UHFFFAOYSA-N

ID: 136219

SMILES:
CC(C1CCC(C)CC1c1cc(CCCCC)cc(O)c1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -18.262

InChIKey:
NMDGIFNTYYQNIA-UHFFFAOYSA-N

ID: 136220

SMILES:
c1c(O)c2c(cc1)C(=O)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.093

InChIKey:
CMLCWFAGWLXKMB-UHFFFAOYSA-N

ID: 136221

SMILES:
Oc1cc(C)cc2c1C1CC(C)(CCC1C(C)=C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.387

InChIKey:
VVRJCBBASZRUGL-UHFFFAOYSA-N

ID: 136222

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 136223

SMILES:
C(C=C(CCC=C(C)C)C)c1c(O)cc(CCCCC)cc1OC1OC(C(=O)O)C(O)C(O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.609

CB1 binding score: -15.018

InChIKey:
SRCWEOPGJZCLDQ-UHFFFAOYSA-N

ID: 136224

SMILES:
OC(C)CC1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -13.197

InChIKey:
OMLVOODEKNXZHX-UHFFFAOYSA-N

ID: 136225

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 136226

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(=O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 136227

SMILES:
C1(C(C)(O)C)CCC(C)=CC1c1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -17.442

InChIKey:
BARKOUWCSDHLOE-UHFFFAOYSA-N

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136207–136227 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