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Molecule Identifiers
Molecular Properties

ID: 120877

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.44

InChIKey:
ATKVACADRIERIO-UHFFFAOYSA-N

ID: 120878

SMILES:
CC(C)CCCC1(C)C=Cc2c(c(CCC)cc(O)c2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.85

InChIKey:
HTSWFKPYLRLOOK-UHFFFAOYSA-N

ID: 120879

SMILES:
CCCCCc1c(O)cc(O)c2c1OC1(C)CCCC(C)(C)C1C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.178

InChIKey:
ZGQKSCQECTZGAE-UHFFFAOYSA-N

ID: 120880

SMILES:
CC1(O)C(CC=C(C)C)c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -13.799

InChIKey:
SXAACVAIIVSLRB-UHFFFAOYSA-N

ID: 120881

SMILES:
C(O)c1c(O)c(C(=O)CCCCC)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.864

InChIKey:
QYYLKLHCVCFRBX-UHFFFAOYSA-N

ID: 120882

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -14.677

InChIKey:
PINNJVSIIWZYSP-UHFFFAOYSA-N

ID: 120883

SMILES:
CC1(C)CC(O)CC(C)=C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.262

InChIKey:
VFEJODTYEONTTD-UHFFFAOYSA-N

ID: 120884

SMILES:
C1(C)C2(C(C(C)C)CC1)CCC1(C)OC2Cc2c(O)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.929

InChIKey:
XSPFSCCWXBIMSE-UHFFFAOYSA-N

ID: 120885

SMILES:
C1CC(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 120886

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -17.677

InChIKey:
FYUMLDZFQYVKKK-UHFFFAOYSA-N

ID: 120887

SMILES:
c1(OC)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 120888

SMILES:
C(CCc1c(CC)c2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -14.605

InChIKey:
GGFDKKGLDCNFLQ-UHFFFAOYSA-N

ID: 120889

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 120890

SMILES:
C1C2(O)C(CC1(C)C)Cc1c(ccc(CCCC)c1)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -12.962

InChIKey:
BGSNCPKTWVUENC-UHFFFAOYSA-N

ID: 120891

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 120892

SMILES:
CSCCc1c(O)c2c(cc1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.482

CB1 binding score: -16.438

InChIKey:
DXLSDGSXNYJUHL-UHFFFAOYSA-N

ID: 120893

SMILES:
C1(C(CO)=CC(C2C(C)(C)O2)O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.622

CB1 binding score: -16.365

InChIKey:
MGBUEHHPNRTFRY-UHFFFAOYSA-N

ID: 120894

SMILES:
CC(=CCCC(C1Cc2c(cc(CCCCC)cc2O)O1)=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.011

InChIKey:
WDFKQMLGWSHNHC-UHFFFAOYSA-N

ID: 120895

SMILES:
C(C1C(=C)CCCC1(C)C)C(=CC(=O)c1c(O)c(C(C)(CCCCCC)C)nc([N+](=O)O)c1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 501.688

CB1 binding score: -13.633

InChIKey:
UWIKXAGNEVPEJD-UHFFFAOYSA-O

ID: 120896

SMILES:
C1c2c(c(O)cc(CCCCC)c2)C(=O)C(CC=C(C)C)=C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.188

InChIKey:
PXQGPVXSKZTQRS-UHFFFAOYSA-N

ID: 120897

SMILES:
C(C1=CC2c3c(cc(CCCCC)cc3OC2(C)C)O1)CC(=CCCC(C=C)(O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -15.421

InChIKey:
KPCPZXDRIRCJMD-UHFFFAOYSA-N

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120877–120897 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