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Molecule Identifiers
Molecular Properties

ID: 102817

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 102818

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102819

SMILES:
C1=C2C(=C(CCCCC)CC3(O)C(CCC(C)=CC3O)C(C)(C)O2)C(=O)C(OC)=C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -15.603

InChIKey:
JFOLYOPUVBQYQJ-UHFFFAOYSA-N

ID: 102820

SMILES:
C1(C)(C)C(=O)CCC23Cc4c(cc(CCCCC)cc4O2)CCC1C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.116

InChIKey:
ZKSITVNZQNONHV-UHFFFAOYSA-N

ID: 102821

SMILES:
C(=C(C)C(CC=C(C)CO)O)Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.527

InChIKey:
ZTFYMBSRXXKTBB-UHFFFAOYSA-N

ID: 102822

SMILES:
CCCCCCc1cc2c(c(O)c1)C1C(C(C)=C)CCC(C)(O)C1CC=C(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -14.941

InChIKey:
NFMDFGDFOSTHGP-UHFFFAOYSA-N

ID: 102823

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C=C1)CCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.366

InChIKey:
IGMKNMANGXSVON-UHFFFAOYSA-N

ID: 102824

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102825

SMILES:
c1(O)cc2c(c(C)c1)OC(C)(CCC=C(C)CCC1OC1(C)C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.553

InChIKey:
ACVWHKVJGOVUKG-UHFFFAOYSA-N

ID: 102826

SMILES:
C1C(Oc2cc(CCCCC)cc(O)c2O)C(C(C)=C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.076

InChIKey:
OVDRTSARGWCKRI-UHFFFAOYSA-N

ID: 102827

SMILES:
c1(C)c(Cl)c2c(c(O)c1Cl)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 327.251

CB1 binding score: -16.044

InChIKey:
UFZBESWNGIUFQM-UHFFFAOYSA-N

ID: 102828

SMILES:
C1C2C(C)(C)OC(CCCCC)=CCC2(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.426

CB1 binding score: -14.299

InChIKey:
ZOAJJZRTBOMPSQ-UHFFFAOYSA-N

ID: 102829

SMILES:
c1c(C(CNC(C)C)=O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 343.467

CB1 binding score: -17.645

InChIKey:
UYCMCDONCJUYHC-UHFFFAOYSA-N

ID: 102830

SMILES:
CC1CCC(CO)C(CO)(CC=C(C)C)C12C(=O)c1c(O)cc(CCc3ccccc3)cc1O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.602

CB1 binding score: -14.714

InChIKey:
ZVKDMEFCDYLWOX-UHFFFAOYSA-N

ID: 102831

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(OC)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.823

InChIKey:
GRLARWXSTOXAGR-UHFFFAOYSA-N

ID: 102832

SMILES:
C12C(CC1C=C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.929

InChIKey:
GEUWIXPYKIGIHA-UHFFFAOYSA-N

ID: 102833

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)c(CC=C(C)CCC=C(C)C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -16.636

InChIKey:
ARVKBZZKUKHUHC-UHFFFAOYSA-N

ID: 102834

SMILES:
CC1(C)C2CCC(C)=CC2c2c(cc(CCCCCCCCCCCCCCCCCCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 538.901

CB1 binding score: -16.241

InChIKey:
YUISGCZJOXEENG-UHFFFAOYSA-N

ID: 102835

SMILES:
CC1=CCCC(C)=CC(c2c(O)cc(CCCCC)cc2O)C2=C(C)C(=O)OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -15.735

InChIKey:
HSGRLVLGKOFTBN-UHFFFAOYSA-N

ID: 102836

SMILES:
Cc1c(C2C=C(C)CCC2C(C)C)c(O)cc(CCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 286.459

CB1 binding score: -16.604

InChIKey:
ZURIPAHOEYHWEB-UHFFFAOYSA-N

ID: 102837

SMILES:
OC1C(=O)C(=C(C)C)CC12c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.32

InChIKey:
VPKGXNASZJABKG-UHFFFAOYSA-N

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102817–102837 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