ITCMDBv1
IngredientID 18413

Ergosterol

C28H44O

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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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Herb: 12Ingredient: 1Target: 12Links: 24
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
18413
Core Entity Id
23646
Source Entity Count
1
Preferred Name
Ergosterol
Name En
Pubchem Id
444679
Smiles Canonical
C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])C([H])=C3[C@]2([H])C([H])([H])C([H])([H])[C@@]([C@@]([H])([C@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@]([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C ([H])([H])[H])C([H])([H])C4([H])[H])(C([H])([H])[H])[C@@]34[H])C([H])([H])[C@]1([H])O[H]
Molecular Formula
C28H44O
Molecular Weight
396.6590
Inchikey
DNVPQKQSNYMLRS-APGDWVJJSA-N
Inchi
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
Isomeric Smiles
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Cas Id
Ob Score
14.2909
Mol Logp
7.3308
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
4
Drug Likeness
0.4930
Polar Surface Area
20.0000
Molecular Volume
318.0000
Alogp
7.0000

Names

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

Name
Ergosterin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ergosterol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ergosterin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ergosterin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ergosterin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ergosterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ergosterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ergosterol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ergosterol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ergosterin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
猪苓
Role
TCM_name
Source
TCMBank
Preferred
No
Name
紫芝;鸡堫;阿里红;冬虫夏草;桑黄;猪苓;双孢蘑菇;茯苓;香蕈;麦角菌;榛蘑;双孢蘑菇;马勃;白僵蚕;蛹虫草;松蕈;榛蘑;木耳;人工蛹虫草;香蕈;白屈菜;牛黄;冬虫夏草;白屈菜;灵芝(赤芝);原蚕沙;白僵蚕;桑黄;原蚕沙;木耳;松蕈;紫芝;马勃;麦角菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI ZHI;JI ZONG;A LI HONG;A LI HONG;DONG CHONG XIA CAO;LING ZHI;NIU HUANG;ZHU LING;SHUANG BAO MO GU;FU LUNG;FU LING;XIANG XUN;MAI JIAO;ZHEN MO;SHUANG BAO MO GU;MA BO;BAI JIANG CAN;YONG CHONG CAO;SONG XUN;ZHEN MO;MU ER;REN GONG YONG CHONG CAO;XIANG XUN;BAI QU CAI;JI ZONG;ZHU LING;NIU HUANG;Occurs in many plants;DONG CHONG XIA CAO;BAI QU CAI;LING ZHI;YUAN CAN SHA;BAI JIANG CAN;SANG HUANG;YUAN CAN SHA;MU ER;SONG XUN;ZI ZHI;MA BO;MAI JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Ganoderma;Collybia Albuminosa Sporocarp;Fomes Officinalis Sporocarp;Fornes OfficinaIis Sporophore;Aweto (Chinese Caterpillar Fungus);Lucid Ganoderma ;Phellinus lgniarius;Cow-bezoar (Ox-gaIIstone);Porrect Wormwood*;Bispore Mushroom*;Indian Bread;Champignon;Ergot;Mellea Armillaria Sporophore;Bispore Mushroom*;Bark-Iess Puff-baII;Silkworm Larva;Scarlet Caterpillar Fungus;Pine Mushroom;Mellea Armillaria Sporocarp;Jew’s Ear;Cultivated Scarlet Caterpillar Fungus*;Champignon;Greater CeIandine; CoIIybia AIbuminosa Sporophore;Popyporus Agaric;Cow-bezoar (Ox-gallstone);Aweto (Chinese CaterpiIIar Fungus);Greater Celandine;Lucid Ganoderma;Silkworm Feculae;Silkworm Larva;Phellinus igniarius;Silkworm Feculae;Jew's Ear;Pine Mushroom;Japanese Ganoderma;Bark-less;Puff-ball;Ergot
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Polyporus umbellatus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(22E)-Ergosta-5,7,22-trien-3.beta.-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(24R)-Ergosta-5,7,22-trien-3b-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(24R)-Ergosta-5,7,22-trien-3b-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3beta)-Ergosta-5,7,22-trien-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3beta)-Ergosta-5,7,22-trien-3-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3beta,22E)-Ergosta-5,7,22-trien-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3beta,22E)-Ergosta-5,7,22-trien-3-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3beta,2E)-Ergosta-5,7,22-trien-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3beta,2E)-Ergosta-5,7,22-trien-3-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(7S,9AR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL
Role
alias
Source
SymMap_v2
Preferred
No
Name
(7S,9AR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL
Role
alias
Source
TCMBank
Preferred
No
Name
24-Methylcholesta-5,7,22-trien-3b-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
24-Methylcholesta-5,7,22-trien-3b-ol
Role
alias
Source
TCMBank
Preferred
No
Name
24-Methylcholesta-5,7,22-trien-3beta-ol
Role
alias
Source
TCMBank
Preferred
No
Name
24-Methylcholesta-5,7,22-trien-3beta-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
24R-Methylcholesta-5,7,22E-trien-3b-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
24R-Methylcholesta-5,7,22E-trien-3b-ol
Role
alias
Source
TCMBank
Preferred
No
Name
24R-Methylcholesta-5,7,22E-trien-3beta-ol
Role
alias
Source
TCMBank
Preferred
No
Name
24R-Methylcholesta-5,7,22E-trien-3beta-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
24a-Methyl-22E-dehydrocholesterol
Role
alias
Source
SymMap_v2
Preferred
No
Name
24a-Methyl-22E-dehydrocholesterol
Role
alias
Source
TCMBank
Preferred
No
Name
24alpha-Methyl-22E-dehydrocholestero
Role
alias
Source
TCMBank
Preferred
No
Name
24alpha-Methyl-22E-dehydrocholestero
Role
alias
Source
SymMap_v2
Preferred
No
Name
3beta-Hydroxy-5,7,22-ergostatriene
Role
alias
Source
TCMBank
Preferred
No
Name
45480_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
47130U_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
5,7,22-Ergostatrien-3beta-ol
Role
alias
Source
TCMBank
Preferred
No
Name
57-87-4
Role
alias
Source
HERB_v2
Preferred
No
Name
57-87-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
57-87-4
Role
alias
Source
TCMBank
Preferred
No
Name
A831651
Role
alias
Source
SymMap_v2
Preferred
No
Name
A831651
Role
alias
Source
TCMBank
Preferred
No
Name
ACon0_000429
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_000637
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS064232
Role
alias
Source
TCMBank
Preferred
No
Name
C01694
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 7220
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 7220
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:16933
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:16933
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:16933
Role
alias
Source
TCMBank
Preferred
No
Name
E6510_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
ERG
Role
alias
Source
TCMBank
Preferred
No
Name
ERGOSTEROL
Role
alias
Source
HERB_v2
Preferred
No
Name
ERGOSTEROL
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ergosta-5,7,22-trien-3-ol, (3b,22E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ergosta-5,7,22-trien-3-ol, (3b,22E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ergosterin
Role
alias
Source
TCMBank
Preferred
No
Name
Ergosterin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ergosterin
Role
alias
Source
SymMap_v2
Preferred
No
Name
Ergosterin
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 395
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 395
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMST01030093
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxm0_000450
Role
alias
Source
TCMBank
Preferred
No
Name
Provitamin D2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Provitamin D2
Role
alias
Source
HERB_v2
Preferred
No
Name
Provitamin D2
Role
alias
Source
TCMBank
Preferred
No
Name
Provitamine D2
Role
alias
Source
TCMBank
Preferred
No
Name
Provitamine D2
Role
alias
Source
SymMap_v2
Preferred
No
Name
ST073383
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-Z30RAY509F
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-Z30RAY509F
Role
alias
Source
HERB_v2
Preferred
No
Name
Z30RAY509F
Role
alias
Source
HERB_v2
Preferred
No
Name
Z30RAY509F
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC04084618
Role
alias
Source
TCMBank
Preferred
No
Name
ergosta-5,7,22-trien-3 beta-ol
Role
alias
Source
TCMBank
Preferred
No
Name
ergosta-5,7,22-trien-3-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
ergosta-5,7,22-trien-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
ergosta-5,7,22-trienol
Role
alias
Source
TCMBank
Preferred
No
Name
ergosta-5,7,22E-trien-3beta-ol
Role
alias
Source
TCMBank
Preferred
No
Name
ergosterol
Role
alias
Source
TCMBank
Preferred
No
Name
4.利水渗湿药(27-27)
Role
level1_name
Source
TCMBank
Preferred
No
Name
dampness-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.利水消肿药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
water-draining and swelling-dispersing medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Ergosterin猪苓紫芝;鸡堫;阿里红;冬虫夏草;桑黄;猪苓;双孢蘑菇;茯苓;香蕈;麦角菌;榛蘑;双孢蘑菇;马勃;白僵蚕;蛹虫草;松蕈;榛蘑;木耳;人工蛹虫草;香蕈;白屈菜;牛黄;冬虫夏草;白屈菜;灵芝(赤芝);原蚕沙;白僵蚕;桑黄;原蚕沙;木耳;松蕈;紫芝;马勃;麦角菌ZI ZHI;JI ZONG;A LI HONG;A LI HONG;DONG CHONG XIA CAO;LING ZHI;NIU HUANG;ZHU LING;SHUANG BAO MO GU;FU LUNG;FU LING;XIANG XUN;MAI JIAO;ZHEN MO;SHUANG BAO MO GU;MA BO;BAI JIANG CAN;YONG CHONG CAO;SONG XUN;ZHEN MO;MU ER;REN GONG YONG CHONG CAO;XIANG XUN;BAI QU CAI;JI ZONG;ZHU LING;NIU HUANG;Occurs in many plants;DONG CHONG XIA CAO;BAI QU CAI;LING ZHI;YUAN CAN SHA;BAI JIANG CAN;SANG HUANG;YUAN CAN SHA;MU ER;SONG XUN;ZI ZHI;MA BO;MAI JIAOJapanese Ganoderma;Collybia Albuminosa Sporocarp;Fomes Officinalis Sporocarp;Fornes OfficinaIis Sporophore;Aweto (Chinese Caterpillar Fungus);Lucid Ganoderma ;Phellinus lgniarius;Cow-bezoar (Ox-gaIIstone);Porrect Wormwood*;Bispore Mushroom*;Indian Bread;Champignon;Ergot;Mellea Armillaria Sporophore;Bispore Mushroom*;Bark-Iess Puff-baII;Silkworm Larva;Scarlet Caterpillar Fungus;Pine Mushroom;Mellea Armillaria Sporocarp;Jew’s Ear;Cultivated Scarlet Caterpillar Fungus*;Champignon;Greater CeIandine; CoIIybia AIbuminosa Sporophore;Popyporus Agaric;Cow-bezoar (Ox-gallstone);Aweto (Chinese CaterpiIIar Fungus);Greater Celandine;Lucid Ganoderma;Silkworm Feculae;Silkworm Larva;Phellinus igniarius;Silkworm Feculae;Jew's Ear;Pine Mushroom;Japanese Ganoderma;Bark-less;Puff-ball;ErgotPolyporus umbellatus(22E)-Ergosta-5,7,22-trien-3.beta.-ol(22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol(24R)-Ergosta-5,7,22-trien-3b-ol(3S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol(3beta)-Ergosta-5,7,22-trien-3-ol(3beta,22E)-Ergosta-5,7,22-trien-3-ol(3beta,2E)-Ergosta-5,7,22-trien-3-ol(7S,9AR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL24-Methylcholesta-5,7,22-trien-3b-ol24-Methylcholesta-5,7,22-trien-3beta-ol24R-Methylcholesta-5,7,22E-trien-3b-ol24R-Methylcholesta-5,7,22E-trien-3beta-ol24a-Methyl-22E-dehydrocholesterol24alpha-Methyl-22E-dehydrocholestero3beta-Hydroxy-5,7,22-ergostatriene45480_FLUKA47130U_SUPELCO5,7,22-Ergostatrien-3beta-ol57-87-4A831651ACon0_000429ACon1_000637AIDS064232C01694CCRIS 7220CHEBI:16933E6510_SIGMAERGErgosta-5,7,22-trien-3-ol, (3b,22E)-HSDB 395LMST01030093MEGxm0_000450Provitamin D2Provitamine D2ST073383UNII-Z30RAY509FZ30RAY509FZINC04084618ergosta-5,7,22-trien-3 beta-olergosta-5,7,22-trien-3-olergosta-5,7,22-trienolergosta-5,7,22E-trien-3beta-ol4.利水渗湿药(27-27)dampness-resolving medicinal1.利水消肿药(11-11)water-draining and swelling-dispersing medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas
57-87-4
Herb
HBIN025551HBIN025553
Npass
NPC168875NPC51850
Tcmid
334537249
Tcmsp
MOL000298
Sym Map
SMIT00026SMIT23825
Tcm Id
1055610557105581055913801138024561
Pub Chem
444679
Tcmbank
TCMBANKIN039119TCMBANKIN055890TCMBANKIN059147
Itcmdb Generated
ITX-INGREDIENT-2D081DC4B858ITX-INGREDIENT-759C15A1D084ITX-INGREDIENT-F027AAF90A6E

Attributes

Merged source attributes and domain-specific metadata.

Type
Blood ingredients,Other ingredients,QC ingredientsOther ingredients
Alog P
7
In Ch I
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
Mol Wt
396.6590000000002
Smiles
C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])C([H])=C3[C@]2([H])C([H])([H])C([H])([H])[C@@]([C@@]([H])([C@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@]([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C ([H])([H])[H])C([H])([H])C4([H])[H])(C([H])([H])[H])[C@@]34[H])C([H])([H])[C@]1([H])O[H]C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])C([H])=C3[C@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@]([H])(C([H])([H])[H])C([H])(C ([H])([H])[H])C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]34[H])C([H])([H])[C@@]1([H])O[H]CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
37 Flag
37
C Count
28
Mol Log P
7.330800000000009
N Count
0
O Count
1
P Count
0
S Count
0
Version
v1,v2v2
In Ch Ikey
DNVPQKQSNYMLRS-APGDWVJJSA-N
Ob Score
14.2909138114.29091414.291
Suppress
0
Tcm Name
猪苓紫芝;鸡堫;阿里红;冬虫夏草;桑黄;猪苓;双孢蘑菇;茯苓;香蕈;麦角菌;榛蘑;双孢蘑菇;马勃;白僵蚕;蛹虫草;松蕈;榛蘑;木耳;人工蛹虫草;香蕈;白屈菜;牛黄;冬虫夏草;白屈菜;灵芝(赤芝);原蚕沙;白僵蚕;桑黄;原蚕沙;木耳;松蕈;紫芝;马勃;麦角菌
Tcm Name2
ZI ZHI;JI ZONG;A LI HONG;A LI HONG;DONG CHONG XIA CAO;LING ZHI;NIU HUANG;ZHU LING;SHUANG BAO MO GU;FU LUNG;FU LING;XIANG XUN;MAI JIAO;ZHEN MO;SHUANG BAO MO GU;MA BO;BAI JIANG CAN;YONG CHONG CAO;SONG XUN;ZHEN MO;MU ER;REN GONG YONG CHONG CAO;XIANG XUN;BAI QU CAI;JI ZONG;ZHU LING;NIU HUANG;Occurs in many plants;DONG CHONG XIA CAO;BAI QU CAI;LING ZHI;YUAN CAN SHA;BAI JIANG CAN;SANG HUANG;YUAN CAN SHA;MU ER;SONG XUN;ZI ZHI;MA BO;MAI JIAO
Mol2 Path
/TCM_database/2003_3d_all/2835.mol2/TCM_database/4.利水渗湿药(27-27)/1.利水消肿药(11-11)/猪苓/structure/ergosterol.mol2
Reference
2, 6, 587, 660, 1407, 5508
Num Hdonors
1
Tcm Name En
Japanese Ganoderma;Collybia Albuminosa Sporocarp;Fomes Officinalis Sporocarp;Fornes OfficinaIis Sporophore;Aweto (Chinese Caterpillar Fungus);Lucid Ganoderma ;Phellinus lgniarius;Cow-bezoar (Ox-gaIIstone);Porrect Wormwood*;Bispore Mushroom*;Indian Bread;Champignon;Ergot;Mellea Armillaria Sporophore;Bispore Mushroom*;Bark-Iess Puff-baII;Silkworm Larva;Scarlet Caterpillar Fungus;Pine Mushroom;Mellea Armillaria Sporocarp;Jew’s Ear;Cultivated Scarlet Caterpillar Fungus*;Champignon;Greater CeIandine; CoIIybia AIbuminosa Sporophore;Popyporus Agaric;Cow-bezoar (Ox-gallstone);Aweto (Chinese CaterpiIIar Fungus);Greater Celandine;Lucid Ganoderma;Silkworm Feculae;Silkworm Larva;Phellinus igniarius;Silkworm Feculae;Jew's Ear;Pine Mushroom;Japanese Ganoderma;Bark-less;Puff-ball;Ergot Polyporus umbellatus
Level1 Name
4.利水渗湿药(27-27)
Level2 Name
1.利水消肿药(11-11)
Num H Donors
1
Drug Likeness
0.493
Num Hacceptors
1
Level1 Name En
dampness-resolving medicinal
Level2 Name En
water-draining and swelling-dispersing medicinal
Isomeric Smiles
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Molecule Weight
396.72
Num H Acceptors
1
Canonical Smiles
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
Herb Alias Names
ERGOSTEROL57-87-4Provitamin D2Ergosta-5,7,22-trien-3-ol, (3b,22E)-UNII-Z30RAY509FCCRIS 7220HSDB 395Z30RAY509FCHEBI:16933
Molecular Volume
318
Molecular Weight
396.6 g/mol397
Molecule Formula
C28H44O
Molecular Formula
C28H44O
Molecular Formula
C28H44O
Num Rotatable Bonds
4
Num Rotatable Bonds
4
Molecular Polar Surface Area
20