| Phytochemical Name : Isoalantolactone |
| PCNDIDI0040 |
| Pubchem CID : 73285 |
| Molecular formula: C15H20O2 |
| Canonical SMILES : CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C |
Synonymes : Isoalantolactone|470-17-7|Isohelenin|iso-alantolacton|CHEBI:5981|(+)-Isoalantolactone|(+/-)-Isoalantolactone|QTF89ZHT7V|NSC 241036|NSC 601353|BRN 0013402|Isoalantolactone, (+/-)-|(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylenedecahydronaphtho[2,3-b]furan-2(3H)-one|AI3-31148|BYH07P620U|NSC241036|NSC-241036|4-17-00-05031 (Beilstein Handbook Reference)|eudesma-4(14),11(13)-dieno-12,8beta-olactone|8beta-hydroxyeudesma-4(14),11(13)-dien-12-oic acid gamma-lactone|Eudesma-4(14),11(13)-dien-12-oic acid, 8-beta-hydroxy-, gamma-lactone|(3aR,4aS,8aR,9aR)-8a-methyl-3,5-bis(methylidene)decahydronaphtho[2,3-b]furan-2(3H)-one|(3aR,4aS,8aR,9aR)-Decahydro-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one|Rel-(3aR,4aS,8aR,9aR)-decahydro-8a-methyl-3,5-bis(methylene)naphtho(2,3-b)furan-2(3H)-one|Naphtho(2,3-b)furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, (3aR,4aS,8aR,9aR)-rel-|Naphtho(2,3-b)furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, (3aR-(3a alpha,4a alpha,8a beta,9a alpha))-|ISOALANTOACTONE|(+)-Isoalantolactone;Isohelenin|(3AR,4AS,8AR,9AR)-DECAHYDRO-8A-METHYL-3,5-BIS(METHYLENE)NAPHTHO(2,3-B)FURAN-2(3H)-ONE|ISOALLANTOLACTONE|UNII-QTF89ZHT7V|Epitope ID:119705|UNII-BYH07P620U|Isoalantolactone (Isohelenin)|SCHEMBL510111|CHEMBL137803|ISOALANTOLACTONE, (+)-|HY-N0780|BDBM50433448|MFCD08689940|s3829|AKOS015892694|CCG-266809|CS-3635|(3aR,4aS,8aR,9aR)-8a-Methyl-3,5-dimethylene-decahydro-naphtho[2,3-b]furan-2-one|(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one|AS-74081|LS-68581|Naphtho(2,3-b)furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, (3aR,4aS,8aR,9aR)-|C09484|A827128|Q27089356|5.ALPHA.H-EUDESMA-4(15),11(13)-DIEN-12,8.BETA.-OLIDE|EUDESMA-4(14),11(13)-DIEN-12-OIC ACID, 8.BETA.-HYDROXY-, .GAMMA.-LACTONE|Eudesma-4(14),11(13)-dien-12-oic acid, 8beta-hydroxy-, gamma-lactone, (+/-)-|(3AR,4AS,8AR,9AR)-8A-METHYL-3,5-DIMETHYLIDENE-DODECAHYDRONAPHTHO[2,3-B]FURAN-2-ONE|107439-69-0|26380-84-7|EUDESMA-4(14),11(13)-DIEN-12-OIC ACID, 8.BETA.-HYDROXY-, .GAMMA.-LACTONE, (+/-)-|Naphtho[2, decahydro-8a-methyl-3,5-bis(methylene)-, [3aR-(3a.alpha.,4a.alpha.,8a.beta.,9a.alpha.)]- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.760 |
| Log Po/w (XLOGP3) : 3.420 |
| Log Po/w (WLOGP) : 3.240 |
| Log Po/w (MLOGP) : 3.350 |
| Log Po/w (SILICOS-IT) : 3.540 |
| Consensus Log Po/w : 3.260 |

