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Molecule Identifiers
Molecular Properties

ID: 119974

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -17.329

InChIKey:
UXMYALNHHLVVAU-UHFFFAOYSA-N

ID: 119975

SMILES:
CC1CCC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.563

InChIKey:
CODIXLGYYWMJFS-UHFFFAOYSA-N

ID: 119976

SMILES:
COC1(C)CCC(=C(C)C)C1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.546

InChIKey:
ICDLFAUYRMQVSD-UHFFFAOYSA-N

ID: 119977

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 119978

SMILES:
c1(OCC)c2c(ccc1-c1cc(CO)cc(Oc3cc(CCCC)ccc3OC)c1)OC1(C)C2CC(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 558.759

CB1 binding score: -15.929

InChIKey:
YYUFPYZRHUMDOX-UHFFFAOYSA-N

ID: 119979

SMILES:
C1(O)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(C)ccc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -16.073

InChIKey:
OYMLLLKZQFNVNE-UHFFFAOYSA-N

ID: 119980

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(C)=CC(=O)C1(C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.95

InChIKey:
HNLRBSOWJJRHCW-UHFFFAOYSA-N

ID: 119981

SMILES:
c1(O)cc(C)cc2c1C1(O)C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.824

InChIKey:
YVIFVQDDWLOZRC-UHFFFAOYSA-N

ID: 119982

SMILES:
CC1(C)C2CCC(=C)C1C2c1c(O)c(C(=O)OC)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -12.949

InChIKey:
WGLMIVPRTUACIG-UHFFFAOYSA-N

ID: 119983

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.233

InChIKey:
LXSFNMQURHTPIT-UHFFFAOYSA-N

ID: 119984

SMILES:
C1CC(C(=C)C)C(c2c(OC)cc(CCCCC)cc2OC)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.878

InChIKey:
UYBGHBAVRNATET-UHFFFAOYSA-N

ID: 119985

SMILES:
C(Cc1ccc(O)c(OC)c1)(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.51

CB1 binding score: -15.999

InChIKey:
HFNNCZYYAJQJHT-UHFFFAOYSA-N

ID: 119986

SMILES:
C(CCC)Cc1cc(O)c(C2C(C(=C)C)C(O)CC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.955

InChIKey:
UKTDGUHOBZBFHV-UHFFFAOYSA-N

ID: 119987

SMILES:
C(c1cc(O)c2c(c1)C=CC(C)(CCC=C(C)C)O2)CCCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.178

InChIKey:
PVTZDRUZWWIKMH-UHFFFAOYSA-N

ID: 119988

SMILES:
OC1(CO)C(O)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -15.178

InChIKey:
QJEJJUSXPHCWQS-UHFFFAOYSA-N

ID: 119989

SMILES:
CC(C)=CCCC(CO)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.652

InChIKey:
YGSDIXSCKNPHAP-UHFFFAOYSA-N

ID: 119990

SMILES:
C1=C(C)CC(c2c(O)cc(C)cc2O)C(C(CC2C(C(C)(C)O)O2)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.267

InChIKey:
YSZZLQLZYAUEKI-UHFFFAOYSA-N

ID: 119991

SMILES:
C1(=O)C2=C(c3c(cc(CCCCC)cc3OCC=C(C)C)C1=O)C=CC(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -13.726

InChIKey:
YHVOHYJGHCSAKF-UHFFFAOYSA-N

ID: 119992

SMILES:
C1C2(O)C(C(=O)C(C)=CC2)c2c(cc(CCCCCO)cc2OC)OC1C=C(C)CCC=C(C(O)=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.643

CB1 binding score: -14.642

InChIKey:
HUMRGTASAFCUMF-UHFFFAOYSA-N

ID: 119993

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.728

InChIKey:
KHLGJPCISFQMLG-UHFFFAOYSA-N

ID: 119994

SMILES:
C(C)CCc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.879

InChIKey:
IXZUQKJFDLWXNQ-UHFFFAOYSA-N

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119974–119994 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