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Molecule Identifiers
Molecular Properties

ID: 79633

SMILES:
O1c2c(c(OC)c(OC)cc2C)C(=O)C12CC1C(C(C)(C)O2)CC=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -11.839

InChIKey:
BKGHLRHBXVEXSG-UHFFFAOYSA-N

ID: 79634

SMILES:
C(CC)(NC(=O)NCCc1cc(O)c(C2C(C(C)=C)CCC3(C)Oc4c(C(C(C)C)=O)c(O)cc(CCCCC)c4C=C32)cc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 630.87

CB1 binding score: -13.087

InChIKey:
YZRAZEUPFKHVFI-UHFFFAOYSA-N

ID: 79635

SMILES:
c1c(O)c2c(c(OCN(CC)CC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 345.483

CB1 binding score: -11.911

InChIKey:
IGPLOICNYSEXMJ-UHFFFAOYSA-N

ID: 79636

SMILES:
Oc1cc(C)c2c(c1)C1(C(=O)c3c(O)cc(CCC)cc3O1)OC(C)(C)C1C2=CC(C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.559

CB1 binding score: -14.525

InChIKey:
ICKNFNMJLZWDGF-UHFFFAOYSA-N

ID: 79637

SMILES:
c1(CCC)cc2c3c(c1)OC(C)(C)C1C3C(O)(C2(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.47

InChIKey:
KUBRGEYKMYEXEU-UHFFFAOYSA-N

ID: 79638

SMILES:
C1CC=C(C)C2C1C(C)(C)Oc1c2c(O)cc2c1CN(CCc1ccccc1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 389.539

CB1 binding score: -14.891

InChIKey:
GYHDIUUYPNRKTC-UHFFFAOYSA-N

ID: 79639

SMILES:
c12c(c(O)c(CCCC)cc1O)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 266.337

CB1 binding score: -14.465

InChIKey:
KFSNJJNJIFUDPM-UHFFFAOYSA-N

ID: 79640

SMILES:
C(Cc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(C=O)c1O)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -16.827

InChIKey:
LKZFGNXPIMGPEV-UHFFFAOYSA-N

ID: 79641

SMILES:
C1(C)(C)Oc2cc(CCc3ccccc3)cc(O)c2CC1CC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.621

CB1 binding score: -15.302

InChIKey:
FGOHPMHOOFJEKA-UHFFFAOYSA-N

ID: 79642

SMILES:
OC(Cc1cc(O)cc2c1OC(C)(C)C1=C2CC(C)CC1=O)CCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -18.227

InChIKey:
VCKZYXAQVBVGIV-UHFFFAOYSA-N

ID: 79643

SMILES:
C(Cc1ccccc1)CCC(=O)Oc1cc(C)c2c(c1-c1ccc(O)c(CC=C(C)CCC=C(C)C)c1)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 664.927

CB1 binding score: -16.545

InChIKey:
WJXYKDSUBVKERD-UHFFFAOYSA-N

ID: 79644

SMILES:
C(CCCCc1ccc(OC2C(C(=C)C)CCC(C)C2)c(O)c1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.647

CB1 binding score: -15.588

InChIKey:
PODDTSSESMHYOF-UHFFFAOYSA-N

ID: 79645

SMILES:
C(=O)CCc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -11.925

InChIKey:
LLKQFPPODFLZKP-UHFFFAOYSA-N

ID: 79646

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.868

InChIKey:
JGZSDZXNHSKGNP-UHFFFAOYSA-N

ID: 79647

SMILES:
c1(O)c2c(cc(C)c1)OC(C)(C)c1C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -18.804

InChIKey:
NJEVKSYKELTXNY-UHFFFAOYSA-N

ID: 79648

SMILES:
C(C=C(C)C)CC(C)=CCc1c(C(OO)C(C)CC)cc(O)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.931

InChIKey:
FJOUNEWOUAEOMG-UHFFFAOYSA-N

ID: 79649

SMILES:
c12cc(CCCCC)cc(O)c1C1C=C(C)CCC3C(C)(C)C(C31)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.19

InChIKey:
GQMYXURNIZWKCY-UHFFFAOYSA-N

ID: 79650

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(C)C=CC=C(C)C)C(O)C=C(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -15.497

InChIKey:
CDTJZMYYHJKVKD-UHFFFAOYSA-N

ID: 79651

SMILES:
c1(CCCCC)cc2c(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

ID: 79652

SMILES:
C1(C(C)=C)C(c2c(O)c(CC=C(C)CCCC(=CC(CC(C)C)=O)C)cc(OS(O)(=O)=O)c2)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 544.754

CB1 binding score: -15.497

InChIKey:
NNKZLEZZFIFTAC-UHFFFAOYSA-N

ID: 79653

SMILES:
C1CC2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

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79633–79653 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