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Molecule Identifiers
Molecular Properties

ID: 141961

SMILES:
c1(CCO)cc2c(c(O)c1)C1CC(=C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.929

InChIKey:
JBTHGVJDIUSOAN-UHFFFAOYSA-N

ID: 141962

SMILES:
C(CCCCc1cc2c(c(O)c1)C1CC(=C)CCC1C(C)(C)O2)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.158

InChIKey:
GIXYHVRDFSRPMA-UHFFFAOYSA-N

ID: 141963

SMILES:
CC(C)C1CCC(C)=CC1c1c(O)c(O)c(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.561

InChIKey:
BTRUBZJFBUJQME-UHFFFAOYSA-N

ID: 141964

SMILES:
C1=C(C)C(O)C(c2c(OC)cc(CCCCC)cc2OC)C=C(C)CCC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -13.131

InChIKey:
VOFBTKVHOAGYMA-UHFFFAOYSA-N

ID: 141965

SMILES:
C12C(C)(C)Oc3cc(C)cc(C(=O)O)c3C1C=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.395

InChIKey:
YHWYOYNWSYTINC-UHFFFAOYSA-N

ID: 141966

SMILES:
c1(O)c(O)c(C2C(C(C)=C)CCC(C)=C2)cc(OC)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -15.422

InChIKey:
BWHVNFBKZFCANK-UHFFFAOYSA-N

ID: 141967

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141968

SMILES:
c1(CCCCC)c(O)c2c3c(c1O)OC(C)(C)C1C2C2C(O)(C)CCC2C3(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.519

InChIKey:
DYXAISYWIFEKLK-UHFFFAOYSA-N

ID: 141969

SMILES:
C(c1cc2c(cc1)OC(C)(C)C1(O)CCC(C)=CC12)CCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -15.103

InChIKey:
LCYULXPNWPOJAW-UHFFFAOYSA-N

ID: 141970

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141971

SMILES:
C1C2C3(C)OC3C2C(C(C)C)C1c1c(CCCCC)cc(O)c(CC=C(C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -14.661

InChIKey:
MIQFEDYOVMRQNR-UHFFFAOYSA-N

ID: 141972

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(C)C)CCC(O)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.961

InChIKey:
CNKSTABSFLNANJ-UHFFFAOYSA-N

ID: 141973

SMILES:
c12c(cc(C)cc1O)OC1CC(Cl)=C(C)CC1C(C(C)=C)CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.925

CB1 binding score: -14.605

InChIKey:
LSNLOLWTCPJIEN-UHFFFAOYSA-N

ID: 141974

SMILES:
C=C(C)C1CCC(C)=CC1c1c(OC)cc(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -14.514

InChIKey:
WDYHKNWXBYTECO-UHFFFAOYSA-N

ID: 141975

SMILES:
C(C(COc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)CC12)C)c1ccccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -15.347

InChIKey:
GRGYRFMKUQUPGJ-UHFFFAOYSA-N

ID: 141976

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 141977

SMILES:
CCC(=O)OC1CC(C)=CCCC2(C)C=Cc3c(c(C)cc(O)c3O)OC(C)(C)C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -12.814

InChIKey:
FWFLPNSEFIOSFA-UHFFFAOYSA-N

ID: 141978

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C(C)=C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 141979

SMILES:
OC1C(O)C(O)C(Oc2c(O)c3c(cc2CCCCC)OC(C)(CCC=C(C)C)C=C3)OC1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.609

CB1 binding score: -15.845

InChIKey:
YOHGKUNZLTXACW-UHFFFAOYSA-N

ID: 141980

SMILES:
C(=C)c1cc(O)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -13.941

InChIKey:
SITRRMQPWUXSEA-UHFFFAOYSA-N

ID: 141981

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -12.494

InChIKey:
KSKUMWJAWRBNCK-UHFFFAOYSA-N

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141961–141981 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