Browse

Molecule Identifiers
Molecular Properties

ID: 41329

SMILES:
C(CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.564

InChIKey:
UZOOUOIKLIZZCO-UHFFFAOYSA-N

ID: 41330

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -18.559

InChIKey:
NEOMHYIKJUAVNS-UHFFFAOYSA-N

ID: 41331

SMILES:
C1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(C)(C)C1C32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.929

InChIKey:
VDUZEEQNGYEUNL-UHFFFAOYSA-N

ID: 41332

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 41333

SMILES:
O1C(C)(C)C2C(c3c(O)cc(CC)cc31)CC(O)C(O)(C)CCCC(=C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.675

InChIKey:
UKCYCHBWFJGSJY-UHFFFAOYSA-N

ID: 41334

SMILES:
C1=C2C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)CO2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.983

InChIKey:
HFUPZSXHEFDLIA-UHFFFAOYSA-N

ID: 41335

SMILES:
C1C=C(C)CC2C1C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 41336

SMILES:
C(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.943

InChIKey:
RWMAQBCDUGRZMD-UHFFFAOYSA-N

ID: 41337

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(CCC=C(C)C)(C)O)(C3CC(C1)C(C)(C)O3)CC=C2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.705

CB1 binding score: -15.344

InChIKey:
JGPPCMYGRQTVIS-UHFFFAOYSA-N

ID: 41338

SMILES:
CC(CC(=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1OC)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.802

InChIKey:
RSXGWHGICKODAA-UHFFFAOYSA-N

ID: 41339

SMILES:
c1cc(CCCCCC)c(O)c2c1OC(C)(C)C1CCC(C(O)=O)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.055

InChIKey:
GHVVWQYUTHXRDP-UHFFFAOYSA-N

ID: 41340

SMILES:
Oc1c2c(c3c(c1)OC(CCC=C(C)C)(C)C=C3)OC(C)(C)C1CCC(C)=C(O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -17.131

InChIKey:
YVJPGBAKBPOUEH-UHFFFAOYSA-N

ID: 41341

SMILES:
O(CCc1cc(O)cc(CC=C(CCC=C(C)C)C)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -15.118

InChIKey:
UVYGBNLAJBWLCZ-UHFFFAOYSA-N

ID: 41342

SMILES:
C(=CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: Not available

InChIKey:
YGOZEFVYMWHKNE-UHFFFAOYSA-N

ID: 41343

SMILES:
c1(O)c(CC=C(C)CCC=C(C)C)c2c(C=C(C)C3C(CC)C(=O)OC3C1)cccc2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -15.929

InChIKey:
PMULSNXQXFMPNU-UHFFFAOYSA-N

ID: 41344

SMILES:
O(C)c1c(O)c(C(CC(C)C)=O)c(O)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.929

InChIKey:
VQXWPQQQULTZFM-UHFFFAOYSA-N

ID: 41345

SMILES:
C(c1c(CCCC)cc2c(c1O)C1=CC(C)(O)CCC1C(C)(C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.08

InChIKey:
KCCWVTXTFSUABB-UHFFFAOYSA-N

ID: 41346

SMILES:
C12C(C)(C)Oc3c(c(O)ccc3C(C)(CCC=C(C)C)C1)C(OC(=O)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -12.322

InChIKey:
KJUUTDKBJACPDQ-UHFFFAOYSA-N

ID: 41347

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)C=CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.849

InChIKey:
CBYRRXUSVRSWNY-UHFFFAOYSA-N

ID: 41348

SMILES:
O=C(C=CCO)c1cc(-c2cc3c(c(O)c2)C2C(CCC(C)=C2)C(C)(C)O3)cc(CCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 488.668

CB1 binding score: -14.821

InChIKey:
KKPYKZIZPLIFKK-UHFFFAOYSA-N

ID: 41349

SMILES:
C1CC(C(C)C)(Oc2cc(CCCCC)cc(O)c2C(OC)=O)C=CC1(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -14.708

InChIKey:
COFLDQHJDRBNAV-UHFFFAOYSA-N

1966196719681969197019711972
41329–41349 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