Browse

Molecule Identifiers
Molecular Properties

ID: 136417

SMILES:
Oc1cc(CCC)c2c(c1)OC(C)(C)C1C(O)CC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.505

InChIKey:
UPSKOWQZYSSSDC-UHFFFAOYSA-N

ID: 136418

SMILES:
OC12C(CC(O)C1(C)C)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -14.543

InChIKey:
SGKLHVQLZGIWMC-UHFFFAOYSA-N

ID: 136419

SMILES:
C1C(O)C2(C)c3cc(OC)c(C)cc3OC(C)(CCC=C(C=O)C)C=C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -18.227

InChIKey:
MWOHTJXUHFDSBZ-UHFFFAOYSA-N

ID: 136420

SMILES:
C1(C)=CCC(C)C(C)(C)C1C(=O)CC1c2cc(OC)cc(C)c2OC(C)(C)C1NC(c1ccccc1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 503.683

CB1 binding score: -6.47

InChIKey:
KJXLYGSQCFTXLQ-UHFFFAOYSA-N

ID: 136421

SMILES:
C12C(=CCC3(C)C1CC(=O)C3)c1c(cc(CCC)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -14.308

InChIKey:
MFTRVJWMKLNGQL-UHFFFAOYSA-N

ID: 136422

SMILES:
OC1c2c(O)cc(CCCCC)cc2OC(C)(C)C1CCC(C)=CCC=C(CCO)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -17.334

InChIKey:
RXKGHLVQMYUYFC-UHFFFAOYSA-N

ID: 136423

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.523

InChIKey:
NIBMZWXYVNTLQQ-UHFFFAOYSA-N

ID: 136424

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC(O)C(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.161

InChIKey:
ACOOJIGWNLQARK-UHFFFAOYSA-N

ID: 136425

SMILES:
c1(C=CCCC)cc(O)c2c(c1)OC(C)(C)C1C(=O)CC(C)(O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.737

InChIKey:
XOOIUBZOSSGVEU-UHFFFAOYSA-N

ID: 136426

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -18.451

InChIKey:
YKQFRQCMTDTORX-UHFFFAOYSA-N

ID: 136427

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.912

InChIKey:
JKUWZILTAIFPQY-UHFFFAOYSA-N

ID: 136428

SMILES:
c12c(c(O)ccc1OC)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.156

InChIKey:
CFNQSLBQTVASCD-UHFFFAOYSA-N

ID: 136429

SMILES:
c1(CC=C(C)C=O)c2c(cc(CCCCCC)c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -16.814

InChIKey:
QDZLDELKYJBGSH-UHFFFAOYSA-N

ID: 136430

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C(C)(C)OC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.586

InChIKey:
DWOMCDUOLVGKPR-UHFFFAOYSA-N

ID: 136431

SMILES:
C1CC2=C(CCO)C(C)(C)OC(CCCCCCC)=C2C(O)=C1CC(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -16.636

InChIKey:
QHODUJMDXJDVEJ-UHFFFAOYSA-N

ID: 136432

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 136433

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 136434

SMILES:
C1(C(C)C)CC(=O)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Chromanes;Meroterpenoids

Class: Cannabinoids;Chromones

MW: 276.376

CB1 binding score: -18.131

InChIKey:
QRKJPUKLKQUKIL-UHFFFAOYSA-N

ID: 136435

SMILES:
C(Oc1cc(CCCCC)cc2c1C=CC(C)(C)O2)(CC(=O)OC(C)C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.297

InChIKey:
NIJNIKZSOJZIMD-UHFFFAOYSA-N

ID: 136436

SMILES:
C(C)(C)=CCCC1(C)C=Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 136437

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCCCCCCCCCCCCC)cc(O)c3C2C(OC(C)=O)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.818

CB1 binding score: -13.787

InChIKey:
LYHODNSUOJEOML-UHFFFAOYSA-N

◀6494649564966497649864996500▶
136417–136437 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