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Molecule Identifiers
Molecular Properties

ID: 136333

SMILES:
C(C)(O)(C(C1C(C(C)=C)C(c2c(O)ccc(CCCCC)c2)CC(C)=C1)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -13.863

InChIKey:
DBJDNHPUENQFOA-UHFFFAOYSA-N

ID: 136334

SMILES:
c1(CCC(O)=O)cc(O)c2c(c1)OC1(C)C2C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.502

InChIKey:
KAXJPJHLXZROHP-UHFFFAOYSA-N

ID: 136335

SMILES:
C(CCCN)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 315.457

CB1 binding score: -17.383

InChIKey:
BIABIMSTVHPPDP-UHFFFAOYSA-N

ID: 136336

SMILES:
CC1(C)C2CCC(C)=CC2c2c(CCCCC)cc(O)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.296

InChIKey:
SBDHCUZETSWOAX-UHFFFAOYSA-N

ID: 136337

SMILES:
CC(C1CCC(C)C(c2c(O)cc(CCCCC)cc2O)C1)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -16.072

InChIKey:
RHSBBANPNYYVDB-UHFFFAOYSA-N

ID: 136338

SMILES:
C12c3c(cc(CCCCCC)cc3O)OC(C)(C)C1CCC(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -18.766

InChIKey:
OKXUDFJPZMVBEH-UHFFFAOYSA-N

ID: 136339

SMILES:
O=C(C)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.068

InChIKey:
CPZWKXRSBORARS-UHFFFAOYSA-N

ID: 136340

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 136341

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.334

InChIKey:
KCXHHYPHLZNTMI-UHFFFAOYSA-N

ID: 136342

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.921

InChIKey:
SPCWMGUNOWOVSB-UHFFFAOYSA-N

ID: 136343

SMILES:
C(=CCc1cc(C)cc(C2C(C(=C)C)CCC(C)=C2)c1O)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.481

CB1 binding score: -16.589

InChIKey:
BYRIXZCYDVVFJV-UHFFFAOYSA-N

ID: 136344

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.792

InChIKey:
MASAKNCDXHSESR-UHFFFAOYSA-N

ID: 136345

SMILES:
c12cc(O)ccc1OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.07

InChIKey:
LIEZPCZOEMYUIR-UHFFFAOYSA-N

ID: 136346

SMILES:
O=C1C(c2c(O)c(CC=C(CCC=C(C)C)C)cc(O)c2)CC=C(CCC=C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -15.587

InChIKey:
OCEMKBMGVGEHGT-UHFFFAOYSA-N

ID: 136347

SMILES:
C1(C)(O)CCC(C(OC)(C)C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.499

CB1 binding score: -15.631

InChIKey:
JSYFNQKRRMZYOZ-UHFFFAOYSA-N

ID: 136348

SMILES:
c1c(C2C(C(=C)C)CCC(C)=C2)c(O)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 136349

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: 136350

SMILES:
Oc1cc(C)cc2c1C1C(C(C)(C)Oc3cc(C)cc(C)c31)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.448

CB1 binding score: -14.38

InChIKey:
QGWXBJMSAXSNEA-UHFFFAOYSA-N

ID: 136351

SMILES:
Oc1cc(CCC)cc2c1C1C=C(C)CCC1C1(C)C2=C(CO)C(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.446

CB1 binding score: -15.954

InChIKey:
OJCGVJBTSPQRFH-UHFFFAOYSA-N

ID: 136352

SMILES:
C(CC(=CCc1c(O)cc(CCC)cc1O)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 136353

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C2C(C)(CCC2C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -17.373

InChIKey:
UQVIRRQARVVPSA-UHFFFAOYSA-N

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136333–136353 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