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Molecule Identifiers
Molecular Properties

ID: 107773

SMILES:
c12c(cc(O)cc1CCCCC)C(=O)C(O)=C1C3C(C)(CCC21)CCC3C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: Not available

InChIKey:
PZKKANQOWIJFHH-UHFFFAOYSA-N

ID: 107774

SMILES:
C(C12C(CCC(C)=CCC1)C(C)(C)Oc1cc(CCC)cc(O)c12)=CC=CC(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.61

CB1 binding score: Not available

InChIKey:
QQKLJPJMDCVOQJ-UHFFFAOYSA-N

ID: 107775

SMILES:
CC1CC2C(C(C(C)(C)O)Oc3cc(CCCCC)cc(O)c32)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -13.508

InChIKey:
AVICGIPSHQVIGS-UHFFFAOYSA-N

ID: 107776

SMILES:
C1(C)(C)CCCC2=Cc3c(O)cc(CCCCC)cc3OC2(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -17.062

InChIKey:
GVAOBFADTRSDBJ-UHFFFAOYSA-N

ID: 107777

SMILES:
C(=C(C)C)CCC(C)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 107778

SMILES:
C12C(C(C(=O)OC)=C)CCC1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.9

InChIKey:
DBMWAMGMWWRPIC-UHFFFAOYSA-N

ID: 107779

SMILES:
C1(C)CCC(O)=C2Cc3c(cc(CCCCC)cc3O)OC12C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.66

InChIKey:
PQNKPMLCCBBISZ-UHFFFAOYSA-N

ID: 107780

SMILES:
c1c(CCCCC)cc(C2C(C(C)=C)CC=C(C)C2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.471

CB1 binding score: -17.672

InChIKey:
ZGZGLZRRBLXULE-UHFFFAOYSA-N

ID: 107781

SMILES:
C(CCC(=CCOc1c(O)cc(CCCCC)cc1O)C)=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -17.13

InChIKey:
MGLOVYXDFFQVSF-UHFFFAOYSA-N

ID: 107782

SMILES:
c1c2c(c(C)c(CCCCC)c1)OC(C)(C)C1C2C(OC(=O)c2ccccc2)C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -12.755

InChIKey:
AKBXAGGUIOFODA-UHFFFAOYSA-N

ID: 107783

SMILES:
C=C(C1CC(O)C(O)(C)C2Oc3cc(CCCCC)cc(O)c3C2C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.124

InChIKey:
OWCBFISUVWCJAJ-UHFFFAOYSA-N

ID: 107784

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)c1c(C(C)=O)cccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.496

CB1 binding score: -15.57

InChIKey:
RKOIXQLEKJMNMK-UHFFFAOYSA-N

ID: 107785

SMILES:
C(CCC)Cc1cc(O)c2c(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: 107786

SMILES:
C1C(CO)=CC2c3c(O)cccc3OC(C)(C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -16.909

InChIKey:
LYSUWBVUIHOBOT-UHFFFAOYSA-N

ID: 107787

SMILES:
c12cc(CCCCC)cc(O)c1C1=CCCC(C)(C)C1CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.842

InChIKey:
YHCGZXVGIAFBCX-UHFFFAOYSA-N

ID: 107788

SMILES:
C12(C)C3=Cc4c(O)cc(CCCCC)cc4OC3(C=CC1C)C(=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -14.614

InChIKey:
XPZBSGWZDXUWAU-UHFFFAOYSA-N

ID: 107789

SMILES:
C(C1CCC(C)=CC1c1c(Br)cccc1O)(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 307.231

CB1 binding score: -16.375

InChIKey:
CDMPCZYNNXDSGI-UHFFFAOYSA-N

ID: 107790

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(COC3OC(COC(=O)C)C(O)C(O)C3O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.646

CB1 binding score: -14.949

InChIKey:
ADLPBMGKOUDBEW-UHFFFAOYSA-N

ID: 107791

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(O)CCC=C(C)CCC3C(C)(CCC=C(C)C)C13)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.733

CB1 binding score: -15.268

InChIKey:
YHCYEZJCKMHMQT-UHFFFAOYSA-N

ID: 107792

SMILES:
CC1(O)C=CCC2(C)Oc3cc(CCCCC)cc(O)c3C2C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.86

InChIKey:
XOSXUOSJVNVFGC-UHFFFAOYSA-N

ID: 107793

SMILES:
C(C)(CCC=C(C)C)(O)C1CCC=C(C)C1c1c(C)cc(O)c(C(=O)OC)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -13.166

InChIKey:
GVEXYJGKIXZTIB-UHFFFAOYSA-N

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107773–107793 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