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Molecule Identifiers
Molecular Properties

ID: 120835

SMILES:
Cc1c(O)c2c(c(O)c1)C1C=C(C)C3(C)C4(C(CCC(C)=C4)C(C)(C)O3)C1(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -15.152

InChIKey:
LOHOMFQJNKYUCV-UHFFFAOYSA-N

ID: 120836

SMILES:
Cc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -17.82

InChIKey:
NEECVWKINJWEIG-UHFFFAOYSA-N

ID: 120837

SMILES:
c12c(c(CCCCC)cc(O)c1)CCC2C(=CC=CC(C)(O)C)COC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.107

InChIKey:
HKSOURSAOILCTK-UHFFFAOYSA-N

ID: 120838

SMILES:
c1(OC2OC(CO)C(O)C(O)C2O)c(CC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.507

CB1 binding score: -17.229

InChIKey:
DEJBVDPQQDKBBA-UHFFFAOYSA-N

ID: 120839

SMILES:
CC1(C)C2CC(=O)C(C)=CC2c2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.614

InChIKey:
RQRGSGCUSQSLSU-UHFFFAOYSA-N

ID: 120840

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 120841

SMILES:
CC(OCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.549

InChIKey:
QVSDDOPXENPNEM-UHFFFAOYSA-N

ID: 120842

SMILES:
C(OCc1cc(O)c2c(c1)OC1(C)CCC(C(C)C)C2C1=O)(=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -16.221

InChIKey:
WGWGVDTTYYQMBZ-UHFFFAOYSA-N

ID: 120843

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(=O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 120844

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 120845

SMILES:
c1c(CCC=C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.349

InChIKey:
KVRWJAULQSKWNK-UHFFFAOYSA-N

ID: 120846

SMILES:
C1(C)COc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -18.588

InChIKey:
NGWFDQUUPDZYQO-UHFFFAOYSA-N

ID: 120847

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.811

InChIKey:
NUHCWZNZIUNYOW-UHFFFAOYSA-N

ID: 120848

SMILES:
C1C=C(C)CC2c3c(O)cc(CCCCC)cc3OC1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.673

InChIKey:
KWTDYUKROCZPKC-UHFFFAOYSA-N

ID: 120849

SMILES:
Oc1c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 120850

SMILES:
C1(C(C)=C)CCC(C(=C)CCC=C(C)CCC=C(C)C)CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.707

CB1 binding score: -15.279

InChIKey:
ASLLRSDKCBDKNR-UHFFFAOYSA-N

ID: 120851

SMILES:
C12C(C)(CCC=C(C)C)c3c(cc(C)c(Br)c3)OC13C(C)CC(=O)C3C(C)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 457.452

CB1 binding score: -15.032

InChIKey:
GUGZKHAXOWXCBR-UHFFFAOYSA-N

ID: 120852

SMILES:
Oc1c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -18.934

InChIKey:
LDZQKZLPWVBJOB-UHFFFAOYSA-N

ID: 120853

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 120854

SMILES:
CC(CC)CCc1c(C)cc(O)c(CC=C(CCC=C(C)C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.931

InChIKey:
YFQZKWINYWVUKY-UHFFFAOYSA-N

ID: 120855

SMILES:
[CH]1CC(C)(O)C2C1C(C)(C)Oc1c2cc(CCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 287.423

CB1 binding score: -14.302

InChIKey:
VFHOQQJQQPVAQL-UHFFFAOYSA-N

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120835–120855 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