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Molecule Identifiers
Molecular Properties

ID: 65857

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)CC1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.166

InChIKey:
GIVAINCGMWLFTI-UHFFFAOYSA-N

ID: 65858

SMILES:
C(C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.591

InChIKey:
FOXSYVKVFYNOHY-UHFFFAOYSA-N

ID: 65859

SMILES:
C(CCCC1(C)Oc2c(cc(O)cc2C)C=C1)C(CCC1OC1(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.071

InChIKey:
PTJLBGCCSXHQJH-UHFFFAOYSA-N

ID: 65860

SMILES:
CC(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(OC)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -16.793

InChIKey:
ARPFNHAVIIGPRR-UHFFFAOYSA-N

ID: 65861

SMILES:
Oc1cc(CCCC)cc2c1C1(O)C(C(C)(C)O2)CCC(O)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -16.015

InChIKey:
FFBLPKFHAOUSBT-UHFFFAOYSA-N

ID: 65862

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.892

InChIKey:
MUCXZHMSXRTLLF-UHFFFAOYSA-N

ID: 65863

SMILES:
CC(C1CC(=O)C(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -16.842

InChIKey:
NPKGFRGJXAVSDO-UHFFFAOYSA-N

ID: 65864

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 65865

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.25

InChIKey:
PGZISGZFEFJPOZ-UHFFFAOYSA-N

ID: 65866

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: 65867

SMILES:
CC1=CC(c2ccc(CCCCCO)cc2)C(C(C)=C)CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -13.162

InChIKey:
BOPBFIUMVIXLPT-UHFFFAOYSA-N

ID: 65868

SMILES:
c1(CCCCC)cc2c(c(O)c1CC=C(C)C)OC(C)(C)C1C2C(C(C)(O)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -17.55

InChIKey:
UQAUPPJSNFGOGA-UHFFFAOYSA-N

ID: 65869

SMILES:
CCCCc1c(C)cc(O)c2c1OC(C)(C)C1C(C=C(C)CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.514

InChIKey:
OIYCVXMURKIFES-UHFFFAOYSA-N

ID: 65870

SMILES:
O(C)CC1(O)C2=CC(C)(OO)CCC2C(C)(C)Oc2c(c(O)cc(CCCC)c2)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.529

CB1 binding score: -13.703

InChIKey:
IHZHKBMEAXGRPO-UHFFFAOYSA-N

ID: 65871

SMILES:
C(=O)(OC)c1c2c3c(c(CC=CC)c(CCCCC)cc3O1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -15.83

InChIKey:
DJYONIDBJYYRRE-UHFFFAOYSA-N

ID: 65872

SMILES:
C1C2C(C)(C)Oc3cc(CCCC)cc(O)c3C2=C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.553

InChIKey:
FTHQNFIFVDDREO-UHFFFAOYSA-N

ID: 65873

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.251

InChIKey:
GIVNWDNDDALTHM-UHFFFAOYSA-N

ID: 65874

SMILES:
c1(C)c2c(coc3c(OC)cccc3c2OC)cc2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.533

CB1 binding score: -15.821

InChIKey:
RDWSTWLZUIITKI-UHFFFAOYSA-N

ID: 65875

SMILES:
c1c(CCCCCC)c(O)c2c(c1)OC(C)(C)C1OC3(CC(O)C4OC43C)C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -16.013

InChIKey:
BISDBQKVRSONSN-UHFFFAOYSA-N

ID: 65876

SMILES:
c1(CCC)cc2c(c3c1CC1C(C)(O3)OCC1C)C=CC(C)(CCC=C(C)C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.929

InChIKey:
BWXCEWIVEOBUAF-UHFFFAOYSA-N

ID: 65877

SMILES:
C1(CO)=CC2C(CC1)C(C)(C)Oc1c2cc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -20.48

InChIKey:
YHVSUBRHUHWIPQ-UHFFFAOYSA-N

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65857–65877 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