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Molecule Identifiers
Molecular Properties

ID: 116761

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC(C)(CCC=C(C)C)C)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -13.11

InChIKey:
RVIVCSGKZPZISN-UHFFFAOYSA-N

ID: 116762

SMILES:
C(C(=O)c1c(OC)c(O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -16.655

InChIKey:
KCGNTBGSXIXVIM-UHFFFAOYSA-N

ID: 116763

SMILES:
CC(C)=CC1Oc2cc(C)cc(O)c2C(O)[CH]1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.195

InChIKey:
HNEWGMMUJQPBAB-UHFFFAOYSA-N

ID: 116764

SMILES:
C1C(C(OC)c2cc(O)c(C)cc2O)(C)CC=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -13.171

InChIKey:
BXRFWYYVKYLDAX-UHFFFAOYSA-N

ID: 116765

SMILES:
c1(O)cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1CCCc1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.513

CB1 binding score: -14.473

InChIKey:
JKCMBWSNMJXZFX-UHFFFAOYSA-N

ID: 116766

SMILES:
OC1C2C(C)(Oc3cc(CCC(=O)C(C)=C)ccc31)CCC2C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -11.556

InChIKey:
MBLAMHCGFWJGEC-UHFFFAOYSA-N

ID: 116767

SMILES:
CC(OC(CC=C(C)C)C(C)=CCc1c(O)cc(CCC)cc1OC(=O)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -12.97

InChIKey:
JYQZTLYEYJGXET-UHFFFAOYSA-N

ID: 116768

SMILES:
C1(C)(C)C2CC=C(C)C(O)C2c2c(cc(CCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.83

InChIKey:
GPDMAFBIOXEZSG-UHFFFAOYSA-N

ID: 116769

SMILES:
O1C2C(=O)c3c(O)cc(CCCCC)cc3OC2(C)C(O)C(OC(C)=O)C1C(C)=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.486

CB1 binding score: Not available

InChIKey:
AIVAOWSHTQLDCP-UHFFFAOYSA-N

ID: 116770

SMILES:
C12(C(O)(C)C)OC1C1C3C2(C)Oc2cc(CCCCC)cc(O)c2C3C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -9.32

InChIKey:
NPJNABAWVHBLJO-UHFFFAOYSA-N

ID: 116771

SMILES:
c1(O)cc(OC)cc(CCc2cc(OC)c3c(c2)OC(C)(C)C2C3C(C(C)(O)CCCO)=C(C)CC2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.671

CB1 binding score: -15.901

InChIKey:
NUPXMOQFUWICLC-UHFFFAOYSA-N

ID: 116772

SMILES:
c1(C2C=C(C)CCC2C(C)C)c(O)cc(CCC(C)CCCc2ccccc2)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.637

CB1 binding score: -15.54

InChIKey:
AWYKKMKNBZOZJX-UHFFFAOYSA-N

ID: 116773

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 116774

SMILES:
C(=C(C)CCC=C(C)C)Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 116775

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C(=C)CO)CC=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -12.038

InChIKey:
TVSLJUXHYYSJEN-UHFFFAOYSA-N

ID: 116776

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.355

InChIKey:
LZHKTNSFHSFWLP-UHFFFAOYSA-N

ID: 116777

SMILES:
C(CCc1cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1)CCc1ccc(O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.701

CB1 binding score: -10.594

InChIKey:
QZBWSQFPZCRPNA-UHFFFAOYSA-N

ID: 116778

SMILES:
O1C(CC(C)(CCc2cc3c(c(O)c2)C2C=C(C)CCC2C(C)(C)O3)O)C(=O)C2(C)C(C1)CCCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.715

CB1 binding score: -16.216

InChIKey:
CIKUXIIQTPJVMY-UHFFFAOYSA-N

ID: 116779

SMILES:
C1C(C)=CC2C(C(CO)(C)Oc3cc(CCC=C)cc(O)c32)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -16.598

InChIKey:
FXXBENKKXQEBDK-UHFFFAOYSA-N

ID: 116780

SMILES:
c1(C(C)(C=C)CO)ccc(C)c(O)c1Oc1cc(CCCCC)cc(O)c1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -12.104

InChIKey:
VIUCDASNLWZSFW-UHFFFAOYSA-N

ID: 116781

SMILES:
Oc1c(CC2(O)C3(C)CCCC3(C)C2C(OC)=O)c(O)c(C(O)=O)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.529

CB1 binding score: -17.342

InChIKey:
WMVAZKMLJIYLKD-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties