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Molecule Identifiers
Molecular Properties

ID: 141184

SMILES:
C1C2C(C)(C)Oc3c(c(O)cc(C(C)C(CC)C)c3)C2(O)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -12.69

InChIKey:
NHARWSDIAZGCGQ-UHFFFAOYSA-N

ID: 141185

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C=O)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.388

InChIKey:
PIKSJDGBORBNLV-UHFFFAOYSA-N

ID: 141186

SMILES:
Oc1c(CC=C(C)CCC=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: 141187

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C=CC(C)(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.933

InChIKey:
RQSRPQZMNCIBIO-UHFFFAOYSA-N

ID: 141188

SMILES:
c1(Cc2cccc(C)c2)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.486

CB1 binding score: -17.19

InChIKey:
VLCBBTJBAZCFHK-UHFFFAOYSA-N

ID: 141189

SMILES:
C(C=C(C)C)C12Oc3c(c(O)cc(CCCCC)c3)CC1=C(C)C(=O)CC2C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -14.205

InChIKey:
LXJKIEYBPMXSNA-UHFFFAOYSA-N

ID: 141190

SMILES:
O1c2c(OC)cc(CCCCCC)cc2OC12C(C)CCC(=O)C2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.31

InChIKey:
JCPMJBDABHZILI-UHFFFAOYSA-N

ID: 141191

SMILES:
CC1(C)Oc2cc(C)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 141192

SMILES:
c1(OC)cc(OC)cc2c1-c1cc(CCCC(C)(O)C)cc(O)c1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -12.753

InChIKey:
UFTZEACVHRMERP-UHFFFAOYSA-N

ID: 141193

SMILES:
C(C1(O)C(O)(c2ccc(OC)c(COc3cc(CCCCC)cc(O)c3)c2)CC(O)C(C(=O)OC)=C1)C=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 622.799

CB1 binding score: -13.941

InChIKey:
UESSPCGOMFQAEL-UHFFFAOYSA-N

ID: 141194

SMILES:
C(Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.506

InChIKey:
LCWPGHYENVNAJV-UHFFFAOYSA-N

ID: 141195

SMILES:
C12C(O)CC(C)=CC1c1c(O)c(C(CCCCC)=O)c(O)c(C=O)c1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Phloroglucinols

Class: Cannabinoids;Phloroglucinol-terpene hybrids

MW: 402.487

CB1 binding score: -15.302

InChIKey:
FTWCPQFAOSTDAV-UHFFFAOYSA-N

ID: 141196

SMILES:
C(C(c1cc(O)c(CC2(C)C(C)=CCCC2C)c(OC)c1)CC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -13.368

InChIKey:
CDXDACCROUIEEJ-UHFFFAOYSA-N

ID: 141197

SMILES:
CC(=C)C1CC(OC(=O)C)C(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -18.504

InChIKey:
BZQDUJNZJKZGFB-UHFFFAOYSA-N

ID: 141198

SMILES:
O1c2c(c(O)c(C(OC)=O)c(CCCCC)c2)C2C1(C)CC1C(CCC1(O)C)C(C)(C)OC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.594

CB1 binding score: -12.378

InChIKey:
FNGKHEFELMADHX-UHFFFAOYSA-N

ID: 141199

SMILES:
C(CCC1=CCc2cc(O)c(C)cc2OC1(C)C)=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -17.442

InChIKey:
IPPILXPWJJMKIC-UHFFFAOYSA-N

ID: 141200

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.988

InChIKey:
FDECQIAQAVZRFF-UHFFFAOYSA-N

ID: 141201

SMILES:
C123c4c(O)cc(C)cc4OC(C)(CCC1C(C)(C)O2)C=C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -13.522

InChIKey:
CHVXGYKLAIKUSI-UHFFFAOYSA-N

ID: 141202

SMILES:
C(C)(C1CCC(C)CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.528

CB1 binding score: -18.883

InChIKey:
KKBNGEMFBFEYQN-UHFFFAOYSA-N

ID: 141203

SMILES:
C1C(C(C)C)=C2CC(C)C(=O)C(c3cc(CCCCC)cc(O)c3C=C2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -13.644

InChIKey:
KNIVZSCWNQFLBO-UHFFFAOYSA-N

ID: 141204

SMILES:
C1C(C)(C)C2(O)Cc3c(O)cc(CCCCC)cc3OC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.209

InChIKey:
USPUUPOIYPKNOZ-UHFFFAOYSA-N

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141184–141204 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