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Molecule Identifiers
Molecular Properties

ID: 141709

SMILES:
O(c1cc2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.982

InChIKey:
GLUWKBFJPNDEDK-UHFFFAOYSA-N

ID: 141710

SMILES:
C1(C)Oc2c(c(O)cc(C(C(CC)C)=O)c2O)C2C=C(C)CC(C)(CCC=C(C)C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -13.941

InChIKey:
BUGCTCYQFNJCAE-UHFFFAOYSA-N

ID: 141711

SMILES:
C(OC1C(CO)=CC2C(C(C)(C)OC1=O)CC=C2C)(C(=CC)C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -14.075

InChIKey:
YHSWATLBRYAFEL-UHFFFAOYSA-N

ID: 141712

SMILES:
C1(C)(C)Oc2cc(CCCCC)ccc2OC1CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -15.103

InChIKey:
RGOCUSHUWFPMDR-UHFFFAOYSA-N

ID: 141713

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.891

InChIKey:
JFJAMLJGMDJCRJ-UHFFFAOYSA-N

ID: 141714

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141715

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 141716

SMILES:
C1(C)=CCC(C)(C)C=CCC2(C)Oc3c(c(O)cc(CCCCC)c3)CC2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -17.958

InChIKey:
CFUSUZXYMJLZAC-UHFFFAOYSA-N

ID: 141717

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.684

CB1 binding score: -15.906

InChIKey:
SMZXGFKXPZGMQT-UHFFFAOYSA-N

ID: 141718

SMILES:
CC(C)(O)C(c1c(O)cc(O)c2c1OC(CCC=C(C)C)(C)C=C2)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.972

InChIKey:
UNFVWPVANZTWBG-UHFFFAOYSA-N

ID: 141719

SMILES:
CC1(C)Oc2ccc(O)cc2C2C=C(C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 141720

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 141721

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -13.996

InChIKey:
TWQWQRSJTMOEHP-UHFFFAOYSA-N

ID: 141722

SMILES:
C1(C(C)=CCC=C(C)C)Cc2c(ccc(CCCCC)c2)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.59

CB1 binding score: -13.881

InChIKey:
LSNPNHNNCYNYIM-UHFFFAOYSA-N

ID: 141723

SMILES:
Cc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c2c(c1)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -15.029

InChIKey:
HZMZVHALPINVNX-UHFFFAOYSA-N

ID: 141724

SMILES:
Cc1cc2c(cc1O)-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -17.792

InChIKey:
OVLCNLKQINIQNN-UHFFFAOYSA-N

ID: 141725

SMILES:
C12(C)C(C(O)C)(C(O)C=C1)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.379

InChIKey:
DTRCKNFVLJEQMN-UHFFFAOYSA-N

ID: 141726

SMILES:
C1C(COC)(C)CCC(C(=C)C)C1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.464

InChIKey:
IPUNTKQONXFOOM-UHFFFAOYSA-N

ID: 141727

SMILES:
Oc1c2c(cc(CCCC)c1)OC(C)(C)C1=C2C(OC2OC(COC(=O)C)C(OC(=O)C)C(OC(C)=O)C2OC(C)=O)=C(C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 660.713

CB1 binding score: -14.012

InChIKey:
DBXFJBYDLBSOGQ-UHFFFAOYSA-N

ID: 141728

SMILES:
CC1=CC2CC(C)(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.684

InChIKey:
WTAXRSBUQPXOKL-UHFFFAOYSA-N

ID: 141729

SMILES:
Oc1cc(O)cc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -15.625

InChIKey:
OKPIWGSJKIUTMJ-UHFFFAOYSA-N

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141709–141729 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