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Molecule Identifiers
Molecular Properties

ID: 76063

SMILES:
C1(O)C(O)C(CO)OC(OC2(C)CCC3C(C)(C)Oc4cc(CCCCC)cc(O)c4C3C2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.625

CB1 binding score: -16.232

InChIKey:
AWQOMAKHUGRQKO-UHFFFAOYSA-N

ID: 76064

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(CO)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 76065

SMILES:
C(CC=C(C)CCC=C(C)C)c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.719

CB1 binding score: -15.328

InChIKey:
GOUHJKNKBRWCBX-UHFFFAOYSA-N

ID: 76066

SMILES:
C1(C)=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 313.485

CB1 binding score: -18.294

InChIKey:
GJDVDGGMUGCJGX-UHFFFAOYSA-N

ID: 76067

SMILES:
Oc1cc2c(c(O)c1)C1C(C(C)(C)O2)OC(C)(C)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -14.122

InChIKey:
AEGLGFZSFXZYKJ-UHFFFAOYSA-N

ID: 76068

SMILES:
C1=CC(C)(C)Oc2cc(CCCCC)c(OC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -16.827

InChIKey:
ASJROMCXFNARMU-UHFFFAOYSA-N

ID: 76069

SMILES:
c1(CCc2ccc(O)cc2)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -16.83

InChIKey:
PBEGVXRRRZSVOL-UHFFFAOYSA-N

ID: 76070

SMILES:
CC1CC2CC=C(C)CC2c2c(O)cc(CCCC(C)CO)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.767

InChIKey:
MGTVGWOWSKRIAZ-UHFFFAOYSA-N

ID: 76071

SMILES:
CC1(C)Oc2c(c(O)c(Cl)c(C)c2)C2C1CCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -17.304

InChIKey:
RGFVZKCIBAZCKF-UHFFFAOYSA-N

ID: 76072

SMILES:
OC1(C)C2CCC(C)(O)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -16.278

InChIKey:
BDMVOECMCDGLLC-UHFFFAOYSA-N

ID: 76073

SMILES:
c1c2c(cc(CCCCC)cc2)c(O)c2c1C1CC(C)(O2)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.529

CB1 binding score: -14.871

InChIKey:
ZYJUOMWZEFXHSJ-UHFFFAOYSA-N

ID: 76074

SMILES:
O=c1c(C)cc(CCCCCC)cc2c1C1C3(C(C2)C(C)(C)OC3(C)C)C(C)CC=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.653

CB1 binding score: -16.811

InChIKey:
AJCZWVXBSOCTLR-UHFFFAOYSA-N

ID: 76075

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -17.823

InChIKey:
MJPGPIDFMYMEIN-UHFFFAOYSA-N

ID: 76076

SMILES:
C(CCC)Cc1cc(OC)cc(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.039

InChIKey:
SKHKPIBLQYCQRC-UHFFFAOYSA-N

ID: 76077

SMILES:
c1c(CCCCC)ccc2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.423

InChIKey:
MRLLOLSGDYQJHB-UHFFFAOYSA-N

ID: 76078

SMILES:
Oc1c(C(O)=O)c(CCCCC)cc(O)c1CC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -19.394

InChIKey:
IQDBYPKRWVDTCI-UHFFFAOYSA-N

ID: 76079

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(OC(C)=O)C(C)=C1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -17.779

InChIKey:
QHUWYHHMCZOMMX-UHFFFAOYSA-N

ID: 76080

SMILES:
C(C)CCCc1c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 76081

SMILES:
CC1=CC(c2c(O)cc(O)cc2OC)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.218

InChIKey:
UZWBOVFGUISXLX-UHFFFAOYSA-N

ID: 76082

SMILES:
CCCCCCCCCCCCCC(OCc1c(O)c2c(cc1)C1C(C(C)(C)O2)CCC(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.721

CB1 binding score: -14.692

InChIKey:
LEJFXFRATUZTHH-UHFFFAOYSA-N

ID: 76083

SMILES:
CCCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.616

InChIKey:
GSKNVEGBNBTMFV-UHFFFAOYSA-N

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76063–76083 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