Browse

Molecule Identifiers
Molecular Properties

ID: 140323

SMILES:
C1(CC=C(C)C)(c2c(O)cc(CCCCCO)cc2OC)CC(=C)C(C)(C)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -13.718

InChIKey:
ZVMCWSJVZJLIMI-UHFFFAOYSA-N

ID: 140324

SMILES:
C12(c3c(O)cc(C)cc3OC(C)(C)C1C=O)OC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.278

CB1 binding score: -14.769

InChIKey:
YVIZBSIBJYWJAQ-UHFFFAOYSA-N

ID: 140325

SMILES:
C(c1cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.605

CB1 binding score: -17.838

InChIKey:
LXHOCRAXFKHGEL-UHFFFAOYSA-N

ID: 140326

SMILES:
c1(CCC)cc(O)c2c(c1)C1C(C(C)(CCC=C(C)C)O2)C(O)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -12.131

InChIKey:
LVZZVIXXTILYAV-UHFFFAOYSA-N

ID: 140327

SMILES:
C1(CO)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 140328

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140329

SMILES:
CC(=CCc1c(O)c(CC=C(C)C)cc(O)c1)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 140330

SMILES:
c1(OC(=O)C)cc(CCC)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.43

InChIKey:
MKXZXSYFLPEBJT-UHFFFAOYSA-N

ID: 140331

SMILES:
Cc1cc2c(c(C=O)c1CCCC)OC(C)(C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -11.808

InChIKey:
SYSZVRQLMDGNPL-UHFFFAOYSA-N

ID: 140332

SMILES:
C(=C(C)C)C1c2c(cc(CCCCC)cc2OC)OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.393

InChIKey:
AOQNHVUIBCALTG-UHFFFAOYSA-N

ID: 140333

SMILES:
c1(CC)c2c(c(C(=O)CCC(C)=CCc3c(O)ccc(O)c3)c(O)c1)OC(C)(CCC=C(C)C)C(=O)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 520.666

CB1 binding score: -12.453

InChIKey:
VBNGJXNWBADCKQ-UHFFFAOYSA-N

ID: 140334

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -14.809

InChIKey:
HIAVQKADGROPLI-UHFFFAOYSA-N

ID: 140335

SMILES:
C1C(C)OC(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -15.929

InChIKey:
SIIYDHUOKDMBGS-UHFFFAOYSA-N

ID: 140336

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.573

InChIKey:
GWRZPUHAIFHCHL-UHFFFAOYSA-N

ID: 140337

SMILES:
C(C=C(C)C)(=O)CC(C1C(O)C=C(C)CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -12.054

InChIKey:
VZMQWLNFDLXGGU-UHFFFAOYSA-N

ID: 140338

SMILES:
C1CC(C(C)=C)C(c2c(O)c(O)cc(CCCCC)c2)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.188

InChIKey:
RPSHQGXUEPEXSY-UHFFFAOYSA-N

ID: 140339

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C(C)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -14.902

InChIKey:
FGPMWCBVFDUAOU-UHFFFAOYSA-N

ID: 140340

SMILES:
C(C1CCC(C)(O)C(=O)C1c1c(O)cc(CCCCC)cc1O)(C)(C=C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -14.472

InChIKey:
HCPKORSTJFHFME-UHFFFAOYSA-N

ID: 140341

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC1O2)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16

InChIKey:
LCGHHORWRDTJJR-UHFFFAOYSA-N

ID: 140342

SMILES:
O=C1c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 140343

SMILES:
C1(OC(=O)C)C(C)=CC2c3c(cc(CCCCC)c(C(O)=O)c3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.514

CB1 binding score: -15.062

InChIKey:
PSYQBBSYEODTMK-UHFFFAOYSA-N

◀6680668166826683668466856686▶
140323–140343 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