ITCMDBv1
IngredientID 4341

Lupeol

C30H50O

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Trial: 2Herb: 12Ingredient: 1Reference: 7Target: 12Links: 33
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
4341
Core Entity Id
8012
Source Entity Count
1
Preferred Name
Lupeol
Name En
Pubchem Id
12359010
Smiles Canonical
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])([C@@]([H])([C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3([H])[ H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
Molecular Formula
C30H50O
Molecular Weight
426.7290
Inchikey
MQYXUWHLBZFQQO-ISZJTHHZSA-N
Inchi
InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24+,25+,27+,28-,29+,30+/m0/s1
Isomeric Smiles
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C
Cas Id
545-47-1
Ob Score
10.3657
Mol Logp
8.0248
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
1
Drug Likeness
0.4210
Polar Surface Area
20.0000
Molecular Volume
345.0000
Alogp
7.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Lup-20(29)-En-3-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lupeol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Epilupeol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-Epilupeol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-epilupeol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-epilupeol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lup-20(29)-En-3-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lup-20(29)-en-3-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lup-20(29)-en-3-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lupenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lupenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lupeol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lupeol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lupeol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lupeol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lup-20(29)-en-3-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
lup-20(29)-en-3-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
lupeol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
人心果属;翼核果;小花木榄果;无花果叶;白僵蚕;水流豆;山人也;山稔叶;桑叶;烈味裂榄;台湾蜂斗菜;枪刀药;苦地胆;芸香科;云实叶;桑寄生;山豆根;君迁子;马蓝根;火焰花;无花果;波特兰大戟;庵摩勒;蚕茧;毛果算盘子;具蜜金合欢;枸骨树皮;黄龙胆;大叶冬青;细长南美豆;枸杞子;鬼盖;油柑木皮;杨梅;油柑叶;落萼叶下珠;箭叶橐吾根;原蚕沙;油柑根;桑科
Role
TCM_name
Source
TCMBank
Preferred
No
Name
女贞子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
烈味裂榄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Achras spp;YI HE GUO;XIAO HUA MU LAN GUO;WU HUA GUO YE;BAI JIANG CAN;SHUI LIU DOU;SHAN REN YE;SANG YE;LIE WEI LIE LAN;TAI WAN FENG DOU CAI;QIANG DAO YAO;KU DI DAN;Fagara xanthoxyloides (Rutaceae);YUN SHI YE;SANG JI SHENG;SHAN DOU GEN;JUN QIAN ZI;MA LAN GEN;HUO YAN HUA;WU HUA GUO;BO TE LAN DA JI;AN MO LE;CAN JIAN;MAO GUO SUAN PAN ZI;JU MI JIN HE HUAN;GOU GU SHU PI;HUANG LONG DAN;DA YE DONG QING;XI CHANG NAN MEI DOU;GOU QI ZI;GUI GAI;YOU GAN MU PI;YANG MEI;YOU GAN YE;LUO E YE XIA ZHU;JIAN YE TOU WU GEN;Raucheria spp;YUAN CAN SHA;YOU GAN GEN;Ficus spp. (Moraceae);Occurs in many plants
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
LIE WEI LIE LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bursera*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Ligustrum lucidum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Smoothfruit Ventilago;Smallflower Bruguiera Fruit*;Fig Leaf;Silkworm Larva;Poplar-leaf Argyreia*;Downy Rosemyrtle Leaf;White Mulberry Leaf;Bursera*;Taiwan Butterbur*;Purple Hypoestes;Scabrous Elephantfoot;Caesalpinia*;Parasite Scurrula;Tonkin Sophora Root;Dateplum Persimmon;Common Baphicacanthus Root;Curvedflower Phlogacanthus;Fig;Potanin Barberry;Emblic Leafflower;Silk Cocoon;Hairypod Glochidion*;Honeyed Acacia;Chinese Holly Bark;Yellow Gentian;Broadleaf Holly;Chinese Wolfberry Fruit;Coprinus Sporocarp;Emblic Leafflower Bark;Chinese Waxmyrtle;Emblic Leafflower Leaf;Flexuose Leafflower*;Arrowleaf Goldenray Root;Silkworm Feculae;Emblic Leafflower Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
.beta.-Viscol
Role
alias
Source
TCMBank
Preferred
No
Name
3-EPI-LUPEOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-EPI-LUPEOL
Role
alias
Source
HERB_v2
Preferred
No
Name
3-epi-Epilupeol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-epi-Epilupeol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4439-99-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
4439-99-0
Role
alias
Source
HERB_v2
Preferred
No
Name
4CN-0933
Role
alias
Source
SymMap_v2
Preferred
No
Name
4CN-0933
Role
alias
Source
TCMBank
Preferred
No
Name
545-47-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
545-47-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AC-1371
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC-1371
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015960466
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015960466
Role
alias
Source
SymMap_v2
Preferred
No
Name
BC201808
Role
alias
Source
SymMap_v2
Preferred
No
Name
BC201808
Role
alias
Source
TCMBank
Preferred
No
Name
C08628
Role
alias
Source
TCMBank
Preferred
No
Name
Clerodol
Role
alias
Source
HERB_v2
Preferred
No
Name
Clerodol
Role
alias
Source
itcmdb_public
Preferred
No
Name
D0RA6H
Role
alias
Source
SymMap_v2
Preferred
No
Name
D0RA6H
Role
alias
Source
TCMBank
Preferred
No
Name
E8SUT3IMRZ
Role
alias
Source
HERB_v2
Preferred
No
Name
E8SUT3IMRZ
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epilupeol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epilupeol
Role
alias
Source
HERB_v2
Preferred
No
Name
Fagarasterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fagarasterol
Role
alias
Source
HERB_v2
Preferred
No
Name
Fagarsterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fagarsterol
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPR01060013
Role
alias
Source
TCMBank
Preferred
No
Name
LUP-20(29)-EN-3.ALPHA.-OL
Role
alias
Source
HERB_v2
Preferred
No
Name
LUP-20(29)-EN-3.ALPHA.-OL
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lup-20(29)-en-3-ol, (3alpha)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lup-20(29)-en-3-ol, (3alpha)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Lup-20(29)-en-3.beta.-ol
Role
alias
Source
TCMBank
Preferred
No
Name
Lupenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lupenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Lupenol
Role
alias
Source
TCMBank
Preferred
No
Name
Lupeol
Role
alias
Source
HERB_v2
Preferred
No
Name
Lupeol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lupeol
Role
alias
Source
TCMBank
Preferred
No
Name
Monogynol B
Role
alias
Source
HERB_v2
Preferred
No
Name
Monogynol B
Role
alias
Source
TCMBank
Preferred
No
Name
Monogynol B
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCI60_042005
Role
alias
Source
TCMBank
Preferred
No
Name
NSC90487
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL14067725
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL14067725
Role
alias
Source
TCMBank
Preferred
No
Name
Triterpene lupeol
Role
alias
Source
HERB_v2
Preferred
No
Name
Triterpene lupeol
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-E8SUT3IMRZ
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-E8SUT3IMRZ
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC04081455
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Viscol
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Viscol
Role
alias
Source
itcmdb_public
Preferred
No
Name
farganasterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
farganasterol
Role
alias
Source
HERB_v2
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
4.补阴药(17-17)
Role
level2_name
Source
TCMBank
Preferred
No
Name
yin-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Lup-20(29)-En-3-Ol3-EpilupeolLupenol人心果属;翼核果;小花木榄果;无花果叶;白僵蚕;水流豆;山人也;山稔叶;桑叶;烈味裂榄;台湾蜂斗菜;枪刀药;苦地胆;芸香科;云实叶;桑寄生;山豆根;君迁子;马蓝根;火焰花;无花果;波特兰大戟;庵摩勒;蚕茧;毛果算盘子;具蜜金合欢;枸骨树皮;黄龙胆;大叶冬青;细长南美豆;枸杞子;鬼盖;油柑木皮;杨梅;油柑叶;落萼叶下珠;箭叶橐吾根;原蚕沙;油柑根;桑科女贞子烈味裂榄Achras spp;YI HE GUO;XIAO HUA MU LAN GUO;WU HUA GUO YE;BAI JIANG CAN;SHUI LIU DOU;SHAN REN YE;SANG YE;LIE WEI LIE LAN;TAI WAN FENG DOU CAI;QIANG DAO YAO;KU DI DAN;Fagara xanthoxyloides (Rutaceae);YUN SHI YE;SANG JI SHENG;SHAN DOU GEN;JUN QIAN ZI;MA LAN GEN;HUO YAN HUA;WU HUA GUO;BO TE LAN DA JI;AN MO LE;CAN JIAN;MAO GUO SUAN PAN ZI;JU MI JIN HE HUAN;GOU GU SHU PI;HUANG LONG DAN;DA YE DONG QING;XI CHANG NAN MEI DOU;GOU QI ZI;GUI GAI;YOU GAN MU PI;YANG MEI;YOU GAN YE;LUO E YE XIA ZHU;JIAN YE TOU WU GEN;Raucheria spp;YUAN CAN SHA;YOU GAN GEN;Ficus spp. (Moraceae);Occurs in many plantsLIE WEI LIE LANBursera*Ligustrum lucidumSmoothfruit Ventilago;Smallflower Bruguiera Fruit*;Fig Leaf;Silkworm Larva;Poplar-leaf Argyreia*;Downy Rosemyrtle Leaf;White Mulberry Leaf;Bursera*;Taiwan Butterbur*;Purple Hypoestes;Scabrous Elephantfoot;Caesalpinia*;Parasite Scurrula;Tonkin Sophora Root;Dateplum Persimmon;Common Baphicacanthus Root;Curvedflower Phlogacanthus;Fig;Potanin Barberry;Emblic Leafflower;Silk Cocoon;Hairypod Glochidion*;Honeyed Acacia;Chinese Holly Bark;Yellow Gentian;Broadleaf Holly;Chinese Wolfberry Fruit;Coprinus Sporocarp;Emblic Leafflower Bark;Chinese Waxmyrtle;Emblic Leafflower Leaf;Flexuose Leafflower*;Arrowleaf Goldenray Root;Silkworm Feculae;Emblic Leafflower Root(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol.beta.-Viscol3-EPI-LUPEOL3-epi-Epilupeol4439-99-04CN-0933545-47-1AC-1371AKOS015960466BC201808C08628ClerodolD0RA6HE8SUT3IMRZEpilupeolFagarasterolFagarsterolLMPR01060013LUP-20(29)-EN-3.ALPHA.-OLLup-20(29)-en-3-ol, (3alpha)-Lup-20(29)-en-3.beta.-olMonogynol BNCI60_042005NSC90487SCHEMBL14067725Triterpene lupeolUNII-E8SUT3IMRZZINC04081455beta-Viscolfarganasterol13.补虚药(60-62)tonifying and replenishing medicinal4.补阴药(17-17)yin-tonifying medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas
4439-99-0545-47-1
Herb
HBIN008486HBIN033733HBIN033748HBIN033751
Npass
NPC197164NPC25511NPC265800
Tcmid
13091335726953
Tcmsp
MOL000356MOL001091MOL001238MOL001271MOL001282
Sym Map
SMIT00033SMIT03687SMIT03718SMIT03729
Tcm Id
108251082610827108281322813229132301323113247132481844318444184621846320317203182031920320232222864
Pub Chem
12359010259846463974985270628
Tcmbank
TCMBANKIN038780TCMBANKIN038824TCMBANKIN044229TCMBANKIN057885TCMBANKIN058704
Etcm Ingredient
lup-20(29)-en-3-ollupeol
Itcmdb Generated
ITX-INGREDIENT-3D329CE1E07CITX-INGREDIENT-7ABDBAFEE0A6ITX-INGREDIENT-A0D0DC5F0C3DITX-INGREDIENT-D188CD00BA7CITX-INGREDIENT-E5CA35E2A3B3

Attributes

Merged source attributes and domain-specific metadata.

Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
7
In Ch I
InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24+,25+,27+,28-,29+,30+/m0/s1InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
Mol Wt
426.7290000000003
Cas Id
545-47-14439-99-0
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])([C@@]([H])([C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3([H])[ H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]C1([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]([H])([C@@]([H])([C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
37 Flag
37
C Count
30
Mol Log P
8.02480000000001
N Count
0
O Count
1
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
MQYXUWHLBZFQQO-ISZJTHHZSA-NMQYXUWHLBZFQQO-QGTGJCAVSA-N
Ob Score
10.3657325710.36573257;17.7239289312.12076412.1207641312.12117.72217.7222965717.722297
Suppress
0
Tcm Name
人心果属;翼核果;小花木榄果;无花果叶;白僵蚕;水流豆;山人也;山稔叶;桑叶;烈味裂榄;台湾蜂斗菜;枪刀药;苦地胆;芸香科;云实叶;桑寄生;山豆根;君迁子;马蓝根;火焰花;无花果;波特兰大戟;庵摩勒;蚕茧;毛果算盘子;具蜜金合欢;枸骨树皮;黄龙胆;大叶冬青;细长南美豆;枸杞子;鬼盖;油柑木皮;杨梅;油柑叶;落萼叶下珠;箭叶橐吾根;原蚕沙;油柑根;桑科女贞子烈味裂榄
Tcm Name2
Achras spp;YI HE GUO;XIAO HUA MU LAN GUO;WU HUA GUO YE;BAI JIANG CAN;SHUI LIU DOU;SHAN REN YE;SANG YE;LIE WEI LIE LAN;TAI WAN FENG DOU CAI;QIANG DAO YAO;KU DI DAN;Fagara xanthoxyloides (Rutaceae);YUN SHI YE;SANG JI SHENG;SHAN DOU GEN;JUN QIAN ZI;MA LAN GEN;HUO YAN HUA;WU HUA GUO;BO TE LAN DA JI;AN MO LE;CAN JIAN;MAO GUO SUAN PAN ZI;JU MI JIN HE HUAN;GOU GU SHU PI;HUANG LONG DAN;DA YE DONG QING;XI CHANG NAN MEI DOU;GOU QI ZI;GUI GAI;YOU GAN MU PI;YANG MEI;YOU GAN YE;LUO E YE XIA ZHU;JIAN YE TOU WU GEN;Raucheria spp;YUAN CAN SHA;YOU GAN GEN;Ficus spp. (Moraceae);Occurs in many plantsLIE WEI LIE LAN
Mol2 Path
/TCM_database/13.补虚药(60-62)/4.补阴药(17-17)/女贞子/3D/lupeol.mol2/TCM_database/2003_3d_all/5004.mol2/TCM_database/2007_3d_all/06954.mol2/TCM_database/9.化痰止咳平喘药(34-34)/2.清化热痰药(15-15)/竹茹/Bambusa tuldoides/3D/lup-20(29)-en-3-ol.mol2
Reference
4437, 45026, 453, 658, 660, 2377, 2532, 2577, 3806, 4099, 4307, 4415, 4437, 4456, 4953, 5019, 5065, 5382, 5385
Num Hdonors
1
Tcm Name En
Bursera*Ligustrum lucidumSmoothfruit Ventilago;Smallflower Bruguiera Fruit*;Fig Leaf;Silkworm Larva;Poplar-leaf Argyreia*;Downy Rosemyrtle Leaf;White Mulberry Leaf;Bursera*;Taiwan Butterbur*;Purple Hypoestes;Scabrous Elephantfoot;Caesalpinia*;Parasite Scurrula;Tonkin Sophora Root;Dateplum Persimmon;Common Baphicacanthus Root;Curvedflower Phlogacanthus;Fig;Potanin Barberry;Emblic Leafflower;Silk Cocoon;Hairypod Glochidion*;Honeyed Acacia;Chinese Holly Bark;Yellow Gentian;Broadleaf Holly;Chinese Wolfberry Fruit;Coprinus Sporocarp;Emblic Leafflower Bark;Chinese Waxmyrtle;Emblic Leafflower Leaf;Flexuose Leafflower*;Arrowleaf Goldenray Root;Silkworm Feculae;Emblic Leafflower Root
Level1 Name
13.补虚药(60-62)
Level2 Name
4.补阴药(17-17)
Num H Donors
1
Drug Likeness
0.421
Num Hacceptors
1
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
yin-tonifying medicinal
Isomeric Smiles
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C
Molecule Weight
426.8
Num H Acceptors
1
Canonical Smiles
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
Herb Alias Names
Epilupeol4439-99-03-epi-EpilupeolE8SUT3IMRZUNII-E8SUT3IMRZLup-20(29)-en-3-ol, (3alpha)-3-EPI-LUPEOL(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-olLUP-20(29)-EN-3.ALPHA.-OL
Molecular Weight
426.390
Molecular Volume
345349
Molecular Weight
426.7 g/mol426.72427
Molecule Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Num Rotatable Bonds
1
Num Rotatable Bonds
1
Molecular Polar Surface Area
20
Fda Maximum Daily Dose (Fdamdd)
0.8990.964
Quantitative Estimate Of Drug Likeness（Qed）
0.421