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Molecule Identifiers
Molecular Properties

ID: 130747

SMILES:
C(c1c(O)c2c3c(c1C)OC(C)(C)C1CCC(C)C(C31)C2C=C(C)C)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.178

InChIKey:
XHSAUFDBKZBABQ-UHFFFAOYSA-N

ID: 130748

SMILES:
C(CC=C(C)CO)C(=CCc1c(O)cc(CCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.748

InChIKey:
UHRCXKCSCBRZGD-UHFFFAOYSA-N

ID: 130749

SMILES:
C12C(C)CCC(C(C)C)C1C(O)=C(C)CC2c1c(OC)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -15.395

InChIKey:
OZWUZNVDHXOYOQ-UHFFFAOYSA-N

ID: 130750

SMILES:
C1=C(C)CCC2(C1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.228

InChIKey:
XQYSGOVDVJLJAU-UHFFFAOYSA-N

ID: 130751

SMILES:
CC(OC1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.976

InChIKey:
PGFFULLVBBCSMB-UHFFFAOYSA-N

ID: 130752

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 130753

SMILES:
CC(CO)C1CC=C(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.811

InChIKey:
HKJHDTOASVWGEF-UHFFFAOYSA-N

ID: 130754

SMILES:
c1(O)c(C(=O)O)c(C2C(C(=C)C)CCC(CO)=C2)c(OC)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.605

InChIKey:
SSIFAHAGKNSRNU-UHFFFAOYSA-N

ID: 130755

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 379.294

CB1 binding score: -14.328

InChIKey:
XZZUVAQUBFALSC-UHFFFAOYSA-N

ID: 130756

SMILES:
C1=C(CS)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.509

CB1 binding score: -14.47

InChIKey:
RCUUGVVWNRAGOS-UHFFFAOYSA-N

ID: 130757

SMILES:
O=C1c2c(OC)c(CCCCC)cc(OC)c2C2C(C(C)(C)O2)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.49

InChIKey:
SFLRFJMACKVMMH-UHFFFAOYSA-N

ID: 130758

SMILES:
c1c(O)c(C(=O)CC(C)C)c2c(c1O)C1C=C(C)C(=O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -17.774

InChIKey:
IXUVCMXGAUFCOW-UHFFFAOYSA-N

ID: 130759

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 130760

SMILES:
C(OC1(C(=C)C)C2c3c(cc(CCCCC)cc3OC(=O)C=C(C)C)CCC(C)(C1=O)C2)c1ccc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.705

CB1 binding score: -15.73

InChIKey:
UHBFZSWZRRLWOQ-UHFFFAOYSA-N

ID: 130761

SMILES:
c1(OC)c(C2C=C(C)CCC2C(C)=C)c(O)ccc1C(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.936

InChIKey:
GNOLJKWCTJCPJM-UHFFFAOYSA-N

ID: 130762

SMILES:
OC1(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -17.794

InChIKey:
VJJHPMHMZFASTR-UHFFFAOYSA-N

ID: 130763

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.828

InChIKey:
PLJAMKXUAQAILB-UHFFFAOYSA-N

ID: 130764

SMILES:
C(C)CCc1cc(O)cc(C2C=C(C)CCC2C(C)(O)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -14.605

InChIKey:
DACAULMIEKBCCA-UHFFFAOYSA-N

ID: 130765

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 130766

SMILES:
OC(C)c1cc(O)c2c(c1)OC1(C)C2CC2C(C(C)=C)CCC2(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.501

InChIKey:
UYCKIVCGIUHKNM-UHFFFAOYSA-N

ID: 130767

SMILES:
CC(=C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)C2CCC(C)C2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -18.957

InChIKey:
PKUQFEQZGFOWIT-UHFFFAOYSA-N

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130747–130767 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