Browse

Molecule Identifiers
Molecular Properties

ID: 124783

SMILES:
CC12C(C)(CO)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.739

InChIKey:
PGRLIXWLHOXMIS-UHFFFAOYSA-N

ID: 124784

SMILES:
C12C3C(C(C)(C)Oc4cc(CCCCC)cc(O)c4C1O2)CC=C(C)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.94

InChIKey:
UGEVMWMUMQOECO-UHFFFAOYSA-N

ID: 124785

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 124786

SMILES:
C1c2c(c3c(cc(O)cc3C)OC2(C)C)CC(C)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -15.876

InChIKey:
VWHSRBIDIORNBG-UHFFFAOYSA-N

ID: 124787

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 124788

SMILES:
C(=CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.253

InChIKey:
XVXPIHYRYALXDI-UHFFFAOYSA-N

ID: 124789

SMILES:
CC1=CC2OC(=O)C(C)=C2C[CH]C(C)=CCc2c(O)cc(CCCCCO)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 411.518

CB1 binding score: -16.108

InChIKey:
FCEKSSDCWXWHIA-UHFFFAOYSA-N

ID: 124790

SMILES:
c1c(C2C(C(=C)C)CCC(C)=C2)cc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.81

InChIKey:
RLNFSWIFLYYPPU-UHFFFAOYSA-N

ID: 124791

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -17.613

InChIKey:
FPLFPJCOLKWIFT-UHFFFAOYSA-N

ID: 124792

SMILES:
C1C(O)C(C)(C)Oc2c1cc(CCCC)cc2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -15.909

InChIKey:
YDPMHOQAXZWISL-UHFFFAOYSA-N

ID: 124793

SMILES:
C(C)CCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 124794

SMILES:
CC1(C)Oc2cc(CO)c(CCCCC)cc2OC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -16.009

InChIKey:
UXEGXHWEFRGVDI-UHFFFAOYSA-N

ID: 124795

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 124796

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.892

InChIKey:
VWZARNYNMTVPDY-UHFFFAOYSA-N

ID: 124797

SMILES:
CC(C)=CCCC1(C)Oc2cc(CCC)cc(O)c2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 124798

SMILES:
c1(C2c3c(cc(C)cc3O)OC(C)(C)C2)c(O)cccc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.355

CB1 binding score: -15.512

InChIKey:
KYJZIGOEZIVYCG-UHFFFAOYSA-N

ID: 124799

SMILES:
c1(C2C(C(C)=C)C3C(C(C)C2=O)C2(C)C(C)(CC4C(C(OC)=O)(OC4(C)C)C2)O3)ccc(OC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.643

CB1 binding score: -17.273

InChIKey:
VPKVRMJIJGGNMP-UHFFFAOYSA-N

ID: 124800

SMILES:
O=C(C)OC1C2C(C(C(C)=C)Oc3cc(CCCCC)cc(O)c31)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -12.613

InChIKey:
PUCOXXSPXFTQKW-UHFFFAOYSA-N

ID: 124801

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 124802

SMILES:
C12=CC(=O)c3c(O)cc(CCCCC)cc3OC(C)(C)C1CC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.492

InChIKey:
PZRZRHVVAAJSFU-UHFFFAOYSA-N

ID: 124803

SMILES:
Oc1cc(CCCCC)cc2c1C1C(=C(C)C=C2)CC(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.492

CB1 binding score: -14.75

InChIKey:
UJUNNUGPCUTEFD-UHFFFAOYSA-N

◀5940594159425943594459455946▶
124783–124803 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