Browse

Molecule Identifiers
Molecular Properties

ID: 66865

SMILES:
Cc1cc(OC)cc2c1OC(C)(C)C1CC=C(C(=O)O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -15.829

InChIKey:
ZUUFGYHLHCRGCZ-UHFFFAOYSA-N

ID: 66866

SMILES:
C(Cc1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -16.502

InChIKey:
WDHVLPZPMNJSSX-UHFFFAOYSA-N

ID: 66867

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 66868

SMILES:
C(C)(OC(C)=O)(C)CCCC(C)=CCCC1(C)Oc2cc(O)cc(C)c2CC1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.547

CB1 binding score: -10.8

InChIKey:
ILHJMOPBYMPMSD-UHFFFAOYSA-N

ID: 66869

SMILES:
C12C(C)(C)CCCC1(C)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.783

InChIKey:
KPTGTVLDBMVBEX-UHFFFAOYSA-N

ID: 66870

SMILES:
c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.63

InChIKey:
LAYHJCJKKWVWTP-UHFFFAOYSA-N

ID: 66871

SMILES:
c12c(c(O)cc(CCCCC)c1)C1(CC(C)C3(CCC(C)C4C(c5ccccc5)OC(C)C(O)(C)C43)O1)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 520.71

CB1 binding score: -13.472

InChIKey:
ZEGFNGJEPZDXHZ-UHFFFAOYSA-N

ID: 66872

SMILES:
C1(C(OC)=O)=CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.749

InChIKey:
AJZPYTOINPMWSD-UHFFFAOYSA-N

ID: 66873

SMILES:
C(CC(=CCc1c(O)cc(CCCCC)c(C(=O)OC(=C)C)c1O)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 400.559

CB1 binding score: -15.295

InChIKey:
SNNPSNVTDYWTDF-UHFFFAOYSA-N

ID: 66874

SMILES:
C1C2(CCC(C(C)C)C1)c1c(O)cc(CCCCC)cc1OC2(C=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.642

InChIKey:
IFJSBDYTERMXFG-UHFFFAOYSA-N

ID: 66875

SMILES:
O(CC=C(C)CCC=C(C)CC(C=C(C)C)O)Oc1c(C(C)CC)cc2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 552.796

CB1 binding score: -16.015

InChIKey:
ZRMPXFXQGQLFSI-UHFFFAOYSA-N

ID: 66876

SMILES:
CC12CC3C(C)(CC1O2)C(O)C3c1cc(CCCCC)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.762

InChIKey:
SIHOTVSFZUGKNU-UHFFFAOYSA-N

ID: 66877

SMILES:
C(O)C(C)C1CCC2(C)Oc3c(c(O)cc(CCCC)c3)C(O2)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -15.451

InChIKey:
FIBRSSWDYIIZQO-UHFFFAOYSA-N

ID: 66878

SMILES:
Oc1c(OC)c(C)cc2c1C1C(C(C)(C)O2)CCC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -17.643

InChIKey:
NINGYQZRYRDOFO-UHFFFAOYSA-N

ID: 66879

SMILES:
C1(C)=CC(c2c(O)cc(C)cc2O)C(C(C)=C)CC1CC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.55

InChIKey:
ZJNMSSXSFPDNDB-UHFFFAOYSA-N

ID: 66880

SMILES:
Oc1c2c(c(C(C(CC)C)=O)c(O)c1)OC(C)(C)C1CC=C(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.334

InChIKey:
NEJJECHBNNIRHL-UHFFFAOYSA-N

ID: 66881

SMILES:
Cc1cc2c(cc1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -17.542

InChIKey:
JHRCPYJNJULWGX-UHFFFAOYSA-N

ID: 66882

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.51

InChIKey:
AYPBHMRAUFVHTC-UHFFFAOYSA-N

ID: 66883

SMILES:
c1(CCCC)cc2c(c(O)c1)C1C(C(O)(C)C)C=CC(C)(O1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.745

InChIKey:
RIRULPRJMIHFIO-UHFFFAOYSA-N

ID: 66884

SMILES:
CC(C1(OC)CCC(C)=CC1c1c(OC)ccc(CCCCC)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -15.374

InChIKey:
YSOJAFNWBPOHMH-UHFFFAOYSA-N

ID: 66885

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

3182318331843185318631873188
66865–66885 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