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Molecule Identifiers
Molecular Properties

ID: 37675

SMILES:
C(=Cc1c2c(cc(C)c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.427

CB1 binding score: -17.485

InChIKey:
UYMNFQYNIXPBAS-UHFFFAOYSA-N

ID: 37676

SMILES:
C1C(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

ID: 37677

SMILES:
C(=C(C)CCC=C(C)C)Cc1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 37678

SMILES:
C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 37679

SMILES:
C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3(C1C(C)(C)CCC3)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.223

InChIKey:
SEXCCTXOWFSNKV-UHFFFAOYSA-N

ID: 37680

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 37681

SMILES:
c1(O)cc(C)cc(O)c1C1C(C(C)=C)C(C=CC(C)(O)C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.207

InChIKey:
BOUMILRSGMOZLJ-UHFFFAOYSA-N

ID: 37682

SMILES:
C12(C)Oc3c(cc(CCCCC)cc3O)C3OC3C(C)=CCC1C(C(C(C)=C)CCC(=O)C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.673

CB1 binding score: -16.221

InChIKey:
FQYYINWMLCVALD-UHFFFAOYSA-N

ID: 37683

SMILES:
C(CCCc1cc(O)c(C2C=C(C)CCC2C(C)C)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.023

InChIKey:
AUSUIGFPHFBARQ-UHFFFAOYSA-N

ID: 37684

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 37685

SMILES:
C1=C(C=O)C(Cc2c(O)cc(CCCCC)cc2)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.502

InChIKey:
YPMQFCSQYLPPLC-UHFFFAOYSA-N

ID: 37686

SMILES:
C12C(CC=C(C)C1)C(C)(C)Oc1c2c(O)cc(OC)c1C(C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.277

InChIKey:
XKGYBDXCGGGQCW-UHFFFAOYSA-N

ID: 37687

SMILES:
CC1=C(c2cc(CCCCC)ccc2O)OC(C)(C)C(O)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -17.309

InChIKey:
HOGRJPHMNWKGLG-UHFFFAOYSA-N

ID: 37688

SMILES:
C(=C)C(CCCC)c1cc2c(c(O)c1)C1C(CC=C(CCC=C(C)C)C)C(C)(CC(=O)C(OC)=CC1=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 520.71

CB1 binding score: -14.028

InChIKey:
KMYUQJMZLLMMMP-UHFFFAOYSA-N

ID: 37689

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 37690

SMILES:
C1=C(C)CCC2(CO)C1c1c(cc(CCCCC)cc1OC(=O)C)OC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -16.222

InChIKey:
JVTWTPKKSMTFML-UHFFFAOYSA-N

ID: 37691

SMILES:
C(C1C2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3)CC1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.069

InChIKey:
PBBGRMWAHZXRCV-UHFFFAOYSA-N

ID: 37692

SMILES:
Oc1cc(CCCCC)cc(O)c1C1C(C(=C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 37693

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 37694

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 37695

SMILES:
C1CC2(c3c(cc(CCCCC)cc3)OC2(C)C)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -14.014

InChIKey:
JABXPAITSQGWOY-UHFFFAOYSA-N

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37675–37695 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