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Molecule Identifiers
Molecular Properties

ID: 134779

SMILES:
C1C(C)C(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -18.04

InChIKey:
VWPDKWYLHYLRFP-UHFFFAOYSA-N

ID: 134780

SMILES:
C(C1=CCc2c(O)cc(CCCCC)cc2OC1(C)C)CCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -14.605

InChIKey:
NYHGCJJRKSZMCL-UHFFFAOYSA-N

ID: 134781

SMILES:
C(CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 134782

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134783

SMILES:
CC(C1CCC(O)(C)C2Oc3c(c(O)cc(CCCCC)c3)C21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.961

InChIKey:
CNKSTABSFLNANJ-UHFFFAOYSA-N

ID: 134784

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 134785

SMILES:
CC(C)C1C(c2c(O)cc(CCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 134786

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(=C)C)(CCC(C)(CCC=C(CCC=C(C)COC(=O)C)C)O1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.742

CB1 binding score: -12.482

InChIKey:
VKNJRQNPMDIJCZ-UHFFFAOYSA-N

ID: 134787

SMILES:
O1C(=O)CC(C)=C1CC(C(=CCc1c(O)c(C)cc(OC)c1)C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -15.25

InChIKey:
KLWSDXBERSHESM-UHFFFAOYSA-N

ID: 134788

SMILES:
CN(c1c(O)c(CC(C)C)cc(C2C(C(=C)C)CCC(C)=C2)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 343.511

CB1 binding score: -15.929

InChIKey:
OWPXZVLBLJSUQT-UHFFFAOYSA-N

ID: 134789

SMILES:
CC1=CC(c2cc(CCCCC)cc(O)c2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
VEBHZTTZGZYZIW-UHFFFAOYSA-N

ID: 134790

SMILES:
c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(=O)ccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -16.594

InChIKey:
SMPPVBMFLKCUEI-UHFFFAOYSA-N

ID: 134791

SMILES:
C12C(CCC1(C)O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.762

InChIKey:
ICMJYQRNULRNTK-UHFFFAOYSA-N

ID: 134792

SMILES:
O=C1C(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.141

InChIKey:
STNIUGDPECKSAQ-UHFFFAOYSA-N

ID: 134793

SMILES:
c1c2c(c(O)c(OC(=O)C)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.804

InChIKey:
WSGIBTMCEWSWOW-UHFFFAOYSA-N

ID: 134794

SMILES:
Oc1c(CCCCC)cc2c(c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.497

InChIKey:
MPSLHJUTUUBRHL-UHFFFAOYSA-N

ID: 134795

SMILES:
C1(C(C)=C)CCC(C)=CC1c1c(O)cc(O)c(CC=C(C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.085

InChIKey:
DXSKUBRMLHRYFY-UHFFFAOYSA-N

ID: 134796

SMILES:
c1(O)cc(CCCCC)cc2c1C(C1CC(C)CC(c3cc(CCCC(CC)O)cc(O)c3)=C1)=CC2c1ccc(O)c(OC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 610.835

CB1 binding score: -12.726

InChIKey:
LMNUADCPNOSQCE-UHFFFAOYSA-N

ID: 134797

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134798

SMILES:
c1(O)cc2c(cc1CCCCC)OC(C)(C)C1C2CC(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.407

InChIKey:
ZZIDHAQGVNBSFC-UHFFFAOYSA-N

ID: 134799

SMILES:
O(C)c1cc(CCCCC)cc2c1C1C(O)C(C)(C)OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.039

InChIKey:
GEDGGWBNCWCCDP-UHFFFAOYSA-N

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134779–134799 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