ITCMDBv1
IngredientID 4346

Oleanolic acid

C30H48O3

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

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Experiment: 2Herb: 12Ingredient: 1Reference: 10Target: 15Links: 39
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
4346
Core Entity Id
8018
Source Entity Count
1
Preferred Name
Oleanolic acid
Name En
Pubchem Id
10494
Smiles Canonical
C(O[H])(=O)[C@]1([C@@](C(=C([H])C([H])([H])[C@]([H])([C@](C([H])([H])[H])([C@]2([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]3([H])O[H])C([H])([H])C3([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C2([H])[H])[ C@]45C([H])([H])[H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C5([H])[H]
Molecular Formula
C30H48O3
Molecular Weight
456.7110
Inchikey
GCHXFNUDFIZZHJ-RLFONNADSA-N
Inchi
InChI=1S/C30H48O3.H2O/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7;/h8,20-23,31H,9-18H2,1-7H3,(H,32,33);1H2/t20-,21-,22+,23-,27-,28+,29+,30-;/m0./s1
Isomeric Smiles
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
Cas Id
25499-90-5
Ob Score
16.0716
Mol Logp
6.4089
Num H Donors
2
Num H Acceptors
2
Num Rotatable Bonds
1
Drug Likeness
0.4090
Polar Surface Area
58.0000
Molecular Volume
351.0000
Alogp
6.0000

Names

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

Name
(4As,6Ar,6As,6Br,8Ar,10R,12Ar,14Bs)-10-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(4As,6Ar,6As,6Br,8Ar,10R,12Ar,14Bs)-10-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(4as,6ar,6as,6br,8ar,10r,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(4as,6ar,6as,6br,8ar,10r,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-Epioleanolic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-Epioleanolic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-epioleanolic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-epioleanolic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-epioleanolic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oleanolic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Oleanolic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Oleanolic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oleanolic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
oleanolic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
夏枯草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
山楂;石榴皮;泽兰;丹蔘(鼠尾草);矮地茶;地肤子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
皂荚;毛草龙;木瓜;美商陆;无梗五加皮;鸡屎藤果;冬凌草;木鳖子;伊朗青兰;扁枝槲寄生;槲寄生;沙枣短葶山麦冬;川西獐牙菜;枫香寄生;麦冬柿蒂;土当归’桑寄生;牛膝;秋木瓜;甜菜;楤木;柿叶;黄花拜酱;黄花败酱; 绣球鼠尾草;女贞子;油橄榄;白花蛇舌草;山茱萸;大枣;辽东楤木;夏枯草;刺五加叶;疏花缬草*;黑忍冬;藿香;车前;石楠;冰片;预知子;平车前;紫葳;青叶胆;关木通;黄杞;大星芹;丁香;木通;酸枣;连翘;红筷子;日本鹿蹄草;猫须草;大车前
Role
TCM_name
Source
TCMBank
Preferred
No
Name
茜草;马鞭草;柿蒂;白芍;广霍香;覆盆子;海桐皮;凌霄花;车前子;萹蓄;枇杷叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
马鞭草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
黄花拜酱;牛膝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Campsis grandiflora;Plantago depressa
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
HUANG HUA BAI JIANG;
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
ZAO JIA;Occurs in many plants;MAO CAO LONG;Nuxia sphaerocephala;PI BA YE;MU GUA;MEI SHANG LU;WU GENG WU JIA PI;DONG LING CAO;MU BIE ZI;YI LANG QING LAN;BIAN ZHI HU JI SHENG;BAI HUA SHE SHE CAO;HU JI SHENG;HUO XIANG;NV ZHEN ZI;QING YE DAN;SHI DI;FENG XIANG JI SHENG;TIAN CAI;BING PIAN;DA CHE QIAN;SANG JI SHENG;SHA ZAO;DUAN TING SHAN MAI DONG;SHI YE;CHUAN XI ZHANG YA CAI;MU TONG;MAI DONG;XIA KU CAO;HEI REN DONG;TU DANG GUI;NIU XI;QIU MU GUA;GUAN MU TONG;CONG MU;JI SHI TENG GUO;YOU GAN LAN;HUANG HUA BAI JIANG;DA XING QIN;XIU QIU SHU WEI CAO;NV ZHEN ZI,PI BA YE,QING YE DAN,RI BEN LU TI CAO,SANG JI SHENG,SHI DI,SHI YE,TIAN CAI,XIA KU CAO,YOU GAN LAN;SHAN ZHU YU;DA ZAO;LIAO DONG CONG MU;CI WU JIA YE;SHU HUA JIE CAO;CHE QIAN;SHI NAN;HONG KUAI ZI;LIAN CHI;YU ZHI ZI;PING CHE QIAN;RI BEN LU TI CAO;ZI WEI;HUANG QI II;DING XIANG;SUAN ZAO;LIAN QIAO;MAO XU CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Honeylocust;Water Seedbox*;Chinese Floweringquince;American Pokeweed;Musso! Swertia ;Sessileflower Acanthopanax Root-bark;CIove;Fevervine Fruit;Blushred Rabdosia;Cochinhina Momordica Seed;Iran Dragonhead*;Flatshort Mistletoe;Spreading Hedyitis ;Colored Mistletoe;Wrinkled Gianthyssop ;GIossy Privet Fruit ;Mileen Swertia;Persimmon Persistent Calyx;Flatshoot Mistletoe;Common Beet;BorneoI;Rippleseed Plantain;Parasite Scurrula;Russianolive;Short-stipe Liriope*;Persimmon Leaf;Mussot Swertia;FIatshoot MistIetoe ;Fiveleaf Akebia;Liriope;Persimmon Persistent Calyx ;Common Selfheal;BIack HoneysuckIe;Udo;Parasite Scurrula ;Twotooth Achyranthes;Common Floweringquince;Manchurian Dutchmanspipe;Japanese Aralia;Fevervine Fruit ;Common OIive;Persimmon Leaf ;Dahurian Patrinia;Astrantia;Glossy Privet Fruit;Common Olive;Spreading Hedyitis;Asiatic Cornelian Cherry;Chinese Date;Liaodong Aralia;Common SeIfheaI;Manyprickle Acanthopanax Leaf;Laxflower Valeriana*;Black Honeysuckle;Wrinkled Gianthyssop;Asiatic Plantain;Chinese Photinia;Borneol;Great WiIIowherb (Firewood) ;Fiveleaf Akebia Seed;Depressed Plantain;Japanese Pyrola ;Chinese Trumpetcreeper;Mileen Swertia ;Manchurian Dutchmanspipe ;Ｒoxburgh Engelhardtia Root;Clove Tree;FiveIeaf Akebia ;Spine Date;Weeping Forsythia;Willowherb (Firewood);Japanese Pyrola;Spicate Clerodendranthus;Rippleseed Plantain
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Crataegus pinnatifida;Punica granatum;ZE LAN;Salvia spp;AI DI CHA;Kochia scoparia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Dahurian Patrinia;Achyranthes bidentata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
MadderVerbena officinalis;SHI DI;Paeonia lactiflora;Pogostemon cablin;Rubus chingii;Erythrina variegate;Campsis grandiflora;Plantain herb;Polygonum aviculare;PI PA YE
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Prunella vulgaris
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Verbena officinalis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(20R)-3alpha-Hydroxyolean-12-en-28-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(20R)-3alpha-Hydroxyolean-12-en-28-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3-beta)-3-Hydroxyolean-12-en-28-oic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid hydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid hydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
25499-90-5
Role
alias
Source
HERB_v2
Preferred
No
Name
25499-90-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Epioleanolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-alpha-Hydroxyolean-12-en-28-oate
Role
alias
Source
HERB_v2
Preferred
No
Name
3-alpha-Hydroxyolean-12-en-28-oate
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-alpha-Hydroxyolean-12-en-28-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-alpha-Hydroxyolean-12-en-28-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-epi-Oleanolic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-epi-oleanolic acid
Role
alias
Source
TCMBank
Preferred
No
Name
3beta-Hydroxyolean-12-en-28-oic acid
Role
alias
Source
TCMBank
Preferred
No
Name
3beta-Hydroxyolean-12-en-28-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3beta-Hydroxyolean-12-en-28-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
508-02-1
Role
alias
Source
TCMBank
Preferred
No
Name
508-02-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
508-02-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AIDS014809
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS022168208
Role
alias
Source
TCMBank
Preferred
No
Name
AS-11663
Role
alias
Source
TCMBank
Preferred
No
Name
Astrantiagenin C
Role
alias
Source
TCMBank
Preferred
No
Name
Astrantiagenin C
Role
alias
Source
HERB_v2
Preferred
No
Name
Astrantiagenin C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Astrantiagenin C, (+)-Oleanolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Astrantiagenin C, (+)-Oleanolic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 6493
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:37659
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:68103
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:68103
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL486382
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL486382
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caryophyllin
Role
alias
Source
HERB_v2
Preferred
No
Name
Caryophyllin
Role
alias
Source
TCMBank
Preferred
No
Name
Caryophyllin
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 208-081-6
Role
alias
Source
TCMBank
Preferred
No
Name
EN300-333123
Role
alias
Source
HERB_v2
Preferred
No
Name
EN300-333123
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epi-Oleanolic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Epi-Oleanolic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Giganteumgenin C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Giganteumgenin C
Role
alias
Source
TCMBank
Preferred
No
Name
Giganteumgenin C
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000697656
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-016-633-333
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 114945
Role
alias
Source
TCMBank
Preferred
No
Name
O5504_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-
Role
alias
Source
TCMBank
Preferred
No
Name
Olean-12-en-28-oic acid, 3.beta.-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Oleanic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Oleanic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oleanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Oleanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oleanolic Acid (Caryophyllin)
Role
alias
Source
TCMBank
Preferred
No
Name
Oleanolic acid hydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oleanolic acid hydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1699365
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL9997853
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9997853
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000445561
Role
alias
Source
TCMBank
Preferred
No
Name
ST057162
Role
alias
Source
TCMBank
Preferred
No
Name
Virgaureagenin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Virgaureagenin B
Role
alias
Source
TCMBank
Preferred
No
Name
Virgaureagenin B
Role
alias
Source
HERB_v2
Preferred
No
Name
Z1954806422
Role
alias
Source
HERB_v2
Preferred
No
Name
Z1954806422
Role
alias
Source
itcmdb_public
Preferred
No
Name
chikusetsu saponin V_qt
Role
alias
Source
TCMBank
Preferred
No
Name
chikusetsusaponin,iva_qt
Role
alias
Source
TCMBank
Preferred
No
Name
hydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
hydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
oleanolic acid 3-O-[β-D-glucuronopyranoside-6-O-butyl ester]-28-O-β-D-glucopyranoside_qt
Role
alias
Source
TCMBank
Preferred
No
Name
oleanolic acid 3-O-[β-D-glucuronopyranoside-6-O-ethyl ester]-28-O-β-D-glucopyranoside_qt
Role
alias
Source
TCMBank
Preferred
No
Name
oleanolic acid 3-O-[β-D-glucuronopyranoside-6-O-methyl ester]-28-O-β-D-glucopyranoside_qt
Role
alias
Source
TCMBank
Preferred
No
Name
oleonolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
oleonolic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
s2334
Role
alias
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
22.截虐药(1-4)
Role
level1_name
Source
TCMBank
Preferred
No
Name
6.消食药(8-8);14.收涩药(17-17);8.活血化瘀药(33-33);8.活血化瘀药(33-33);;9.化痰止咳平喘药(34-34);4.利水渗湿药(27-27)
Role
level1_name
Source
TCMBank
Preferred
No
Name
7.止血药(25-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
8.活血化瘀药(33-33)
Role
level1_name
Source
TCMBank
Preferred
No
Name
anti-malaria medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
blood-activating and stasis-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
digestant medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
hemostatic medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.清热泻火药(13-13)
Role
level2_name
Source
TCMBank
Preferred
No
Name
2.化瘀止血药(5-5)
Role
level2_name
Source
TCMBank
Preferred
No
Name
2.活血调经药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-activating menstruationregulating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing and fire-purging medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
stasis-resolving hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
Oleanic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
oleanic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
oleanoic,acid
Role
alias
Source
TCMBank
Preferred
No
Name
杧果树皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MANG GUO SHU PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mango Bark
Role
TCM_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(4As,6Ar,6As,6Br,8Ar,10R,12Ar,14Bs)-10-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid3-Epioleanolic Acid夏枯草山楂;石榴皮;泽兰;丹蔘(鼠尾草);矮地茶;地肤子皂荚;毛草龙;木瓜;美商陆;无梗五加皮;鸡屎藤果;冬凌草;木鳖子;伊朗青兰;扁枝槲寄生;槲寄生;沙枣短葶山麦冬;川西獐牙菜;枫香寄生;麦冬柿蒂;土当归’桑寄生;牛膝;秋木瓜;甜菜;楤木;柿叶;黄花拜酱;黄花败酱; 绣球鼠尾草;女贞子;油橄榄;白花蛇舌草;山茱萸;大枣;辽东楤木;夏枯草;刺五加叶;疏花缬草*;黑忍冬;藿香;车前;石楠;冰片;预知子;平车前;紫葳;青叶胆;关木通;黄杞;大星芹;丁香;木通;酸枣;连翘;红筷子;日本鹿蹄草;猫须草;大车前茜草;马鞭草;柿蒂;白芍;广霍香;覆盆子;海桐皮;凌霄花;车前子;萹蓄;枇杷叶马鞭草黄花拜酱;牛膝Campsis grandiflora;Plantago depressaHUANG HUA BAI JIANG;ZAO JIA;Occurs in many plants;MAO CAO LONG;Nuxia sphaerocephala;PI BA YE;MU GUA;MEI SHANG LU;WU GENG WU JIA PI;DONG LING CAO;MU BIE ZI;YI LANG QING LAN;BIAN ZHI HU JI SHENG;BAI HUA SHE SHE CAO;HU JI SHENG;HUO XIANG;NV ZHEN ZI;QING YE DAN;SHI DI;FENG XIANG JI SHENG;TIAN CAI;BING PIAN;DA CHE QIAN;SANG JI SHENG;SHA ZAO;DUAN TING SHAN MAI DONG;SHI YE;CHUAN XI ZHANG YA CAI;MU TONG;MAI DONG;XIA KU CAO;HEI REN DONG;TU DANG GUI;NIU XI;QIU MU GUA;GUAN MU TONG;CONG MU;JI SHI TENG GUO;YOU GAN LAN;HUANG HUA BAI JIANG;DA XING QIN;XIU QIU SHU WEI CAO;NV ZHEN ZI,PI BA YE,QING YE DAN,RI BEN LU TI CAO,SANG JI SHENG,SHI DI,SHI YE,TIAN CAI,XIA KU CAO,YOU GAN LAN;SHAN ZHU YU;DA ZAO;LIAO DONG CONG MU;CI WU JIA YE;SHU HUA JIE CAO;CHE QIAN;SHI NAN;HONG KUAI ZI;LIAN CHI;YU ZHI ZI;PING CHE QIAN;RI BEN LU TI CAO;ZI WEI;HUANG QI II;DING XIANG;SUAN ZAO;LIAN QIAO;MAO XU CAOChinese Honeylocust;Water Seedbox*;Chinese Floweringquince;American Pokeweed;Musso! Swertia ;Sessileflower Acanthopanax Root-bark;CIove;Fevervine Fruit;Blushred Rabdosia;Cochinhina Momordica Seed;Iran Dragonhead*;Flatshort Mistletoe;Spreading Hedyitis ;Colored Mistletoe;Wrinkled Gianthyssop ;GIossy Privet Fruit ;Mileen Swertia;Persimmon Persistent Calyx;Flatshoot Mistletoe;Common Beet;BorneoI;Rippleseed Plantain;Parasite Scurrula;Russianolive;Short-stipe Liriope*;Persimmon Leaf;Mussot Swertia;FIatshoot MistIetoe ;Fiveleaf Akebia;Liriope;Persimmon Persistent Calyx ;Common Selfheal;BIack HoneysuckIe;Udo;Parasite Scurrula ;Twotooth Achyranthes;Common Floweringquince;Manchurian Dutchmanspipe;Japanese Aralia;Fevervine Fruit ;Common OIive;Persimmon Leaf ;Dahurian Patrinia;Astrantia;Glossy Privet Fruit;Common Olive;Spreading Hedyitis;Asiatic Cornelian Cherry;Chinese Date;Liaodong Aralia;Common SeIfheaI;Manyprickle Acanthopanax Leaf;Laxflower Valeriana*;Black Honeysuckle;Wrinkled Gianthyssop;Asiatic Plantain;Chinese Photinia;Borneol;Great WiIIowherb (Firewood) ;Fiveleaf Akebia Seed;Depressed Plantain;Japanese Pyrola ;Chinese Trumpetcreeper;Mileen Swertia ;Manchurian Dutchmanspipe ;Ｒoxburgh Engelhardtia Root;Clove Tree;FiveIeaf Akebia ;Spine Date;Weeping Forsythia;Willowherb (Firewood);Japanese Pyrola;Spicate Clerodendranthus;Rippleseed PlantainCrataegus pinnatifida;Punica granatum;ZE LAN;Salvia spp;AI DI CHA;Kochia scopariaDahurian Patrinia;Achyranthes bidentataMadderVerbena officinalis;SHI DI;Paeonia lactiflora;Pogostemon cablin;Rubus chingii;Erythrina variegate;Campsis grandiflora;Plantain herb;Polygonum aviculare;PI PA YEPrunella vulgarisVerbena officinalis(20R)-3alpha-Hydroxyolean-12-en-28-oic acid(3-beta)-3-Hydroxyolean-12-en-28-oic acid(4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid(4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid hydrate25499-90-53-alpha-Hydroxyolean-12-en-28-oate3-alpha-Hydroxyolean-12-en-28-oic acid3-epi-Oleanolic Acid3beta-Hydroxyolean-12-en-28-oic acid508-02-1AIDS014809AKOS022168208AS-11663Astrantiagenin CAstrantiagenin C, (+)-Oleanolic acidCCRIS 6493CHEBI:37659CHEBI:68103CHEMBL486382CaryophyllinEINECS 208-081-6EN300-333123Epi-Oleanolic AcidGiganteumgenin CMLS000697656MolPort-016-633-333NSC 114945O5504_SIGMAOlean-12-en-28-oic acid, 3-beta-hydroxy- (8CI)Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-Olean-12-en-28-oic acid, 3.beta.-hydroxy-Oleanic acidOleanolOleanolic Acid (Caryophyllin)Oleanolic acid hydrateSCHEMBL1699365SCHEMBL9997853SMR000445561ST057162Virgaureagenin BZ1954806422chikusetsu saponin V_qtchikusetsusaponin,iva_qthydrateoleanolic acid 3-O-[β-D-glucuronopyranoside-6-O-butyl ester]-28-O-β-D-glucopyranoside_qtoleanolic acid 3-O-[β-D-glucuronopyranoside-6-O-ethyl ester]-28-O-β-D-glucopyranoside_qtoleanolic acid 3-O-[β-D-glucuronopyranoside-6-O-methyl ester]-28-O-β-D-glucopyranoside_qtoleonolic acids23342.清热药(64-64)22.截虐药(1-4)6.消食药(8-8);14.收涩药(17-17);8.活血化瘀药(33-33);8.活血化瘀药(33-33);;9.化痰止咳平喘药(34-34);4.利水渗湿药(27-27)7.止血药(25-26)8.活血化瘀药(33-33)anti-malaria medicinalblood-activating and stasis-resolving medicinaldigestant medicinalheat-clearing medicinalhemostatic medicinal1.清热泻火药(13-13)2.化瘀止血药(5-5)2.活血调经药(11-11)blood-activating menstruationregulating medicinalheat-clearing and fire-purging medicinalstasis-resolving hemostatic medicinaloleanoic,acid杧果树皮MANG GUO SHU PIMango Bark

Cross References

Trusted external identifiers retained for this final record.

Cas
25499-90-5508-02-1
Hit
C0262
Herb
HBIN008492HBIN010238HBIN037940HBIN037941HBIN037936
Npass
NPC130577NPC142415NPC225118
Tcmid
160402310123779243652668036418697939384
Tcmsp
MOL000263MOL001447MOL001663MOL011390MOL002215
Sym Map
SMIT00024SMIT00946SMIT02578SMIT04041SMIT15266SMIT18434SMIT04506
Tcm Id
10896108971089810899109001090110902109031090410905109061090710908133841338513386133871338813389133901339116899169001690116902169031690416905169061857818579185801858118582185831858420457204582045920460204612046220463204642129234692347023471
Pub Chem
10494118696584986793968003286
Tcmbank
TCMBANKIN013193TCMBANKIN023150TCMBANKIN029876TCMBANKIN037277TCMBANKIN042604TCMBANKIN051779TCMBANKIN053065TCMBANKIN057695TCMBANKIN057727TCMBANKIN057788TCMBANKIN034976TCMBANKIN053525
Etcm Ingredient
(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid3-epioleanolic acidOleanolic acidoleanolic acidoleanolic,,acidoleanolicacidoleanic acid
Itcmdb Generated
ITX-INGREDIENT-045E15D5FA59ITX-INGREDIENT-15A830B6AD64ITX-INGREDIENT-24FA50447EADITX-INGREDIENT-3FC915F085A0ITX-INGREDIENT-535CA0B2F2ADITX-INGREDIENT-74B164C47471ITX-INGREDIENT-84731628EBF5ITX-INGREDIENT-94A0E4FCE03AITX-INGREDIENT-9D7126671501ITX-INGREDIENT-9E586F45814BITX-INGREDIENT-B5B3DEA945D3ITX-INGREDIENT-C2E87761EBDEITX-INGREDIENT-BBBFBACA5C38ITX-INGREDIENT-381092D5E73A

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Alog P
6
In Ch I
InChI=1S/C30H48O3.H2O/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7;/h8,20-23,31H,9-18H2,1-7H3,(H,32,33);1H2/t20-,21-,22+,23-,27-,28+,29+,30-;/m0./s1InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
Mol Wt
456.7110000000003474.7260000000003
Cas Id
25499-90-5
Smiles
C(O[H])(=O)[C@]1([C@@](C(=C([H])C([H])([H])[C@]([H])([C@](C([H])([H])[H])([C@]2([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]3([H])O[H])C([H])([H])C3([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C2([H])[H])[ C@]45C([H])([H])[H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C5([H])[H]C([H])([H])([H])C1(C([H])([H])[H])C([H])([H])[C@@]([H])(C(=C([H])C([H])([H])[C@@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4([H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[H]) C4(C([H])([H])[H])C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5(C(O[H])=O)C([H])([H])C1([H])[H]C1(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@](C(=O)O[H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C3=C([H])C([H])([H])[C@@]4([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H]) (C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C5([H])[H])[C@@]45C([H])([H])[H])[C@@]3([H])C1([H])[H]C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(O[H])=O)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([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[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([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[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([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(O[H])=O)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]CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C.O[C@@]1([H])(C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])[C@@](C([H])([H])[H])([C@]([H])(C([H])([H])C([H])=C([C@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]3(C(O[H])=O) C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H])O[H]
37 Flag
37
C Count
30
Mol Log P
6.4089000000000097.233600000000009
N Count
0
O Count
3
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
GCHXFNUDFIZZHJ-RLFONNADSA-NMIJYXULNPSFWEK-GTOFXWBISA-NMIJYXULNPSFWEK-KDQGZELNSA-N
Ob Score
16.0716327516.07163316.07229.02084129.0208414229.02132.02832.02801332.02801329
Suppress
01
Tcm Name
夏枯草山楂;石榴皮;泽兰;丹蔘(鼠尾草);矮地茶;地肤子收敛两翼木皂荚;毛草龙;木瓜;美商陆;无梗五加皮;鸡屎藤果;冬凌草;木鳖子;伊朗青兰;扁枝槲寄生;槲寄生;沙枣短葶山麦冬;川西獐牙菜;枫香寄生;麦冬柿蒂;土当归’桑寄生;牛膝;秋木瓜;甜菜;楤木;柿叶;黄花拜酱;黄花败酱; 绣球鼠尾草;女贞子;油橄榄;白花蛇舌草;山茱萸;大枣;辽东楤木;夏枯草;刺五加叶;疏花缬草*;黑忍冬;藿香;车前;石楠;冰片;预知子;平车前;紫葳;青叶胆;关木通;黄杞;大星芹;丁香;木通;酸枣;连翘;红筷子;日本鹿蹄草;猫须草;大车前紫苏茜草;马鞭草;柿蒂;白芍;广霍香;覆盆子;海桐皮;凌霄花;车前子;萹蓄;枇杷叶马鞭草黄花拜酱;牛膝
Tcm Name2
Campsis grandiflora;Plantago depressaHUANG HUA BAI JIANG;SHOU LIAN LIANG YI MUZAO JIA;Occurs in many plants;MAO CAO LONG;Nuxia sphaerocephala;PI BA YE;MU GUA;MEI SHANG LU;WU GENG WU JIA PI;DONG LING CAO;MU BIE ZI;YI LANG QING LAN;BIAN ZHI HU JI SHENG;BAI HUA SHE SHE CAO;HU JI SHENG;HUO XIANG;NV ZHEN ZI;QING YE DAN;SHI DI;FENG XIANG JI SHENG;TIAN CAI;BING PIAN;DA CHE QIAN;SANG JI SHENG;SHA ZAO;DUAN TING SHAN MAI DONG;SHI YE;CHUAN XI ZHANG YA CAI;MU TONG;MAI DONG;XIA KU CAO;HEI REN DONG;TU DANG GUI;NIU XI;QIU MU GUA;GUAN MU TONG;CONG MU;JI SHI TENG GUO;YOU GAN LAN;HUANG HUA BAI JIANG;DA XING QIN;XIU QIU SHU WEI CAO;NV ZHEN ZI,PI BA YE,QING YE DAN,RI BEN LU TI CAO,SANG JI SHENG,SHI DI,SHI YE,TIAN CAI,XIA KU CAO,YOU GAN LAN;SHAN ZHU YU;DA ZAO;LIAO DONG CONG MU;CI WU JIA YE;SHU HUA JIE CAO;CHE QIAN;SHI NAN;HONG KUAI ZI;LIAN CHI;YU ZHI ZI;PING CHE QIAN;RI BEN LU TI CAO;ZI WEI;HUANG QI II;DING XIANG;SUAN ZAO;LIAN QIAO;MAO XU CAO
Mol2 Path
/TCM_database/1.解表药(28-28)/1.发散风寒药(16-16)/紫苏/structure/oleanolic acid.mol2/TCM_database/2.清热药(64-64)/1.清热泻火药(13-13)/夏枯草/structure/Oleanolic acid.mol2/TCM_database/2003_3d_all/2767.mol2/TCM_database/2003_3d_all/6471.mol2/TCM_database/22.截虐药(1-4)/马鞭草/structure/3-epioleanolic acid.mol2/TCM_database/6.消食药(8-8)/山楂/structure/oleanolic acid.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/茜草/Structure/oleanolic acid.mol2/TCM_database/8.活血化瘀药(33-33)/2.活血调经药(11-11)/牛膝/structure/oleanolic acid.mol2
Reference
4, 6, 439, 453, 455, 462, 471, 472, 592, 600, 622, 658, 660,2579, 3005, 3786, 4415, 4418, 4419, 4772, 4986, 4994, 5015, 5059, 5387,5397, 5447, 5479, 5496, 5501, 55086, 5461
Num Hdonors
2
Tcm Name En
Chinese Honeylocust;Water Seedbox*;Chinese Floweringquince;American Pokeweed;Musso! Swertia ;Sessileflower Acanthopanax Root-bark;CIove;Fevervine Fruit;Blushred Rabdosia;Cochinhina Momordica Seed;Iran Dragonhead*;Flatshort Mistletoe;Spreading Hedyitis ;Colored Mistletoe;Wrinkled Gianthyssop ;GIossy Privet Fruit ;Mileen Swertia;Persimmon Persistent Calyx;Flatshoot Mistletoe;Common Beet;BorneoI;Rippleseed Plantain;Parasite Scurrula;Russianolive;Short-stipe Liriope*;Persimmon Leaf;Mussot Swertia;FIatshoot MistIetoe ;Fiveleaf Akebia;Liriope;Persimmon Persistent Calyx ;Common Selfheal;BIack HoneysuckIe;Udo;Parasite Scurrula ;Twotooth Achyranthes;Common Floweringquince;Manchurian Dutchmanspipe;Japanese Aralia;Fevervine Fruit ;Common OIive;Persimmon Leaf ;Dahurian Patrinia;Astrantia;Glossy Privet Fruit;Common Olive;Spreading Hedyitis;Asiatic Cornelian Cherry;Chinese Date;Liaodong Aralia;Common SeIfheaI;Manyprickle Acanthopanax Leaf;Laxflower Valeriana*;Black Honeysuckle;Wrinkled Gianthyssop;Asiatic Plantain;Chinese Photinia;Borneol;Great WiIIowherb (Firewood) ;Fiveleaf Akebia Seed;Depressed Plantain;Japanese Pyrola ;Chinese Trumpetcreeper;Mileen Swertia ;Manchurian Dutchmanspipe ;Ｒoxburgh Engelhardtia Root;Clove Tree;FiveIeaf Akebia ;Spine Date;Weeping Forsythia;Willowherb (Firewood);Japanese Pyrola;Spicate Clerodendranthus;Rippleseed PlantainCrataegus pinnatifida;Punica granatum;ZE LAN;Salvia spp;AI DI CHA;Kochia scopariaCuachalalate (local name)Dahurian Patrinia;Achyranthes bidentataMadderVerbena officinalis;SHI DI;Paeonia lactiflora;Pogostemon cablin;Rubus chingii;Erythrina variegate;Campsis grandiflora;Plantain herb;Polygonum aviculare;PI PA YEPerilla frutescensPrunella vulgarisVerbena officinalis
Level1 Name
1.解表药(28-28)2.清热药(64-64)22.截虐药(1-4)6.消食药(8-8);14.收涩药(17-17);8.活血化瘀药(33-33);8.活血化瘀药(33-33);;9.化痰止咳平喘药(34-34);4.利水渗湿药(27-27)7.止血药(25-26)8.活血化瘀药(33-33)
Level2 Name
1.发散风寒药(16-16)1.清热泻火药(13-13)2.化瘀止血药(5-5)2.活血调经药(11-11)
Num H Donors
2
Drug Likeness
0.4090.43
Num Hacceptors
2
Level1 Name En
anti-malaria medicinalblood-activating and stasis-resolving medicinaldigestant medicinalexterior-releasing medicinalheat-clearing medicinalhemostatic medicinal
Level2 Name En
blood-activating menstruationregulating medicinalheat-clearing and fire-purging medicinalstasis-resolving hemostatic medicinalwind-cold-dispersing
Isomeric Smiles
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O.OC[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
Molecule Weight
456.71|456.78456.78
Num H Acceptors
3
Canonical Smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)CCC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C.O
Herb Alias Names
25499-90-5Epi-Oleanolic Acid3-epi-Oleanolic AcidCHEMBL486382CHEBI:68103(20R)-3alpha-Hydroxyolean-12-en-28-oic acid3-alpha-Hydroxyolean-12-en-28-oate(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid3-alpha-Hydroxyolean-12-en-28-oic acid
Molecular Weight
456.360
Molecular Volume
351354356358
Molecular Weight
456.7457
Molecule Formula
C30H48O3
Molecular Formula
C30H48O3
Molecular Formula
C30H48O3C30H50O4
Molecular Formula
C30H48O3C30H50O4
Num Rotatable Bonds
1
Link Ingredient Id
24.0
Num Rotatable Bonds
1
Molecular Polar Surface Area
58
Fda Maximum Daily Dose (Fdamdd)
0.6180.9210.9400.9650.975
Quantitative Estimate Of Drug Likeness（Qed）
0.409