Browse

Molecule Identifiers
Molecular Properties

ID: 48784

SMILES:
C1CC(C(C)=C)Cc2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.405

CB1 binding score: -16.751

InChIKey:
SFOHOMGALDOQSY-UHFFFAOYSA-N

ID: 48785

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -15.506

InChIKey:
ATTYKITWJBTBND-UHFFFAOYSA-N

ID: 48786

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 48787

SMILES:
C1(C)CCCC(C)C2=CC3C(C(O)C21)C(C)(C)Oc1cc(CCCCC)ccc13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -13.915

InChIKey:
JEEKTPJEOBMPSS-UHFFFAOYSA-N

ID: 48788

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 48789

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.957

InChIKey:
MTBKFELEBUQONK-UHFFFAOYSA-N

ID: 48790

SMILES:
O(C1CC2C(C)(C3C(O)c4c(cc(CCCCC)cc4O3)O2)C1C)C(C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -13.906

InChIKey:
GQTGXPMICKKUFP-UHFFFAOYSA-N

ID: 48791

SMILES:
c1(CCCCC)c(O)c(C)c(C=O)c2c1C1CC(C)(O2)CCC1C(OC)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.124

InChIKey:
BZXOUFOWQMFKKV-UHFFFAOYSA-N

ID: 48792

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.438

InChIKey:
CBEWCUWSPDDHMI-UHFFFAOYSA-N

ID: 48793

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(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: 48794

SMILES:
C1(O)C(C)=CC2C(C(C)(C)Oc3c(c(OC)cc(CCCC)c3)C2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.865

InChIKey:
KYNIHNGQEIELGT-UHFFFAOYSA-N

ID: 48795

SMILES:
C(CCCC)c1cc2c(c(OC)c1)C1C3C2(C(OC)O1)CC=CC3(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -12.772

InChIKey:
WMRFBOVWBCEAFH-UHFFFAOYSA-N

ID: 48796

SMILES:
Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 48797

SMILES:
CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C1C=CC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.79

InChIKey:
YYKYYBOQNUIXKL-UHFFFAOYSA-N

ID: 48798

SMILES:
OC(c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -19.487

InChIKey:
BUCRJAYMJBXTKD-UHFFFAOYSA-N

ID: 48799

SMILES:
C(CCCC)c1cc(O)c2c(c1OC)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.068

InChIKey:
STNBJEFTZUCAKW-UHFFFAOYSA-N

ID: 48800

SMILES:
C1C(C=O)=CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.255

InChIKey:
BGIBNWZALWRTHR-UHFFFAOYSA-N

ID: 48801

SMILES:
O=C(C(C)C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -18.304

InChIKey:
MLCYRUTXUZZKHD-UHFFFAOYSA-N

ID: 48802

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 48803

SMILES:
C12(O)CCC(C)=CC1c1c(cc(CCCCC)c(C(=O)O)c1O)OC2(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -16.075

InChIKey:
NNNDAVFDOAQTHC-UHFFFAOYSA-N

ID: 48804

SMILES:
C1(=O)C(=C)CC(CC(C(=C)C)CC=C(C)C)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -14.107

InChIKey:
XOBYFOSYPXAHPA-UHFFFAOYSA-N

2321232223232324232523262327
48784–48804 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