Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 5Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26533
- Core Entity Id
- 32681
- Source Entity Count
- 1
- Preferred Name
- Mogrol
- Name En
- Pubchem Id
- 14525327
- Smiles Canonical
- CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(C3(C2CC=C4C3CCC(C4(C)C)O)C)O)C)C
- Molecular Formula
- C30H52O4
- Molecular Weight
- 1287.4470
- Inchikey
- GHBNZZJYBXQAHG-KUVSNLSMSA-N
- Inchi
- InChI=1S/C30H52O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-25,31-34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,25-,28+,29-,30+/m1/s1
- Isomeric Smiles
- C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)O)C)C
- Cas Id
- 88901-36-4
- Ob Score
- 12.0190
- Mol Logp
- -5.4076
- Num H Donors
- 19
- Num H Acceptors
- 29
- Num Rotatable Bonds
- 20
- Drug Likeness
- 0.0510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mogrol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Mogroside V
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Mogrol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mogrol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mogrol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mogroside V
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Mogroside V
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mogroside v
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mogroside v
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
mogrol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
mogrol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
mogroside V
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(10alpha,24R)-9beta-Methyl-19-norlanosta-5-ene-3beta,11alpha,24,25-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
(10alpha,24R)-9beta-Methyl-19-norlanosta-5-ene-3beta,11alpha,24,25-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,10H,11H-cyclopenta[a]phenanthrene-7,10-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,10H,11H-cyclopenta[a]phenanthrene-7,10-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4R,9beta,11alpha,24R)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4R,9beta,11alpha,24R)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(23R)-cucurbit-5-ene-3beta,11alpha,23,25-tetraol
Role
alias
Source
HERB_v2
Preferred
No
Name
(23R)-cucurbit-5-ene-3beta,11alpha,23,25-tetraol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(24R)-cucurbit-5-ene-3beta,11alpha,24,25-tetraol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(24R)-cucurbit-5-ene-3beta,11alpha,24,25-tetraol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3.BETA.,9.BETA.,10.ALPHA.,11.ALPHA.,24R)-3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-11,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-24-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-.BETA.-D-GLUCOPYRANOSIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3.BETA.,9.BETA.,10.ALPHA.,11.ALPHA.,24R)-3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-11,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-24-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-.BETA.-D-GLUCOPYRANOSIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,9.BETA.,10.ALPHA.,11.ALPHA.,24R)-3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-11,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-24-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-
Role
alias
Source
HERB_v2
Preferred
No
Name
11-oxomogroside Ⅴ_qt
Role
alias
Source
TCMBank
Preferred
No
Name
88901-36-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
88901-36-4
Role
alias
Source
HERB_v2
Preferred
No
Name
88930-15-8
Role
alias
Source
HERB_v2
Preferred
No
Name
88930-15-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:138974
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:138974
Role
alias
Source
HERB_v2
Preferred
No
Name
MOGROSIDE V (USP-RS)
Role
alias
Source
itcmdb_public
Preferred
No
Name
MOGROSIDE V [USP-RS]
Role
alias
Source
HERB_v2
Preferred
No
Name
Mogrol-3-O-(beta-D-glucopyranosyl (1-6)-beta-D-glucopyranoside)-24-O-((beta-D-glucopyranosyl (1-2))-(beta-D-glucopyranosyl(1-6))-beta-D-glucopyranoside)
Role
alias
Source
HERB_v2
Preferred
No
Name
Mogrol-3-O-(beta-D-glucopyranosyl (1-6)-beta-D-glucopyranoside)-24-O-((beta-D-glucopyranosyl (1-2))-(beta-D-glucopyranosyl(1-6))-beta-D-glucopyranoside)
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-ZFF6Z51TUR
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-ZFF6Z51TUR
Role
alias
Source
HERB_v2
Preferred
No
Name
ZFF6Z51TUR
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZFF6Z51TUR
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, (3beta,9beta,10alpha,11alpha,24R)-3-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-6))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
mogroside V_qt
Role
alias
Source
TCMBank
Preferred
No
Name
mogroside v
Role
alias
Source
TCMBank
Preferred
No
Name
mogroside Ⅲ_qt
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Mogroside V(10alpha,24R)-9beta-Methyl-19-norlanosta-5-ene-3beta,11alpha,24,25-tetrol(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,10H,11H-cyclopenta[a]phenanthrene-7,10-diol(1S,4R,9beta,11alpha,24R)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol(23R)-cucurbit-5-ene-3beta,11alpha,23,25-tetraol(24R)-cucurbit-5-ene-3beta,11alpha,24,25-tetraol(3.BETA.,9.BETA.,10.ALPHA.,11.ALPHA.,24R)-3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-11,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-24-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-.BETA.-D-GLUCOPYRANOSIDE(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,9.BETA.,10.ALPHA.,11.ALPHA.,24R)-3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-11,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-24-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-11-oxomogroside Ⅴ_qt88901-36-488930-15-8CHEBI:138974MOGROSIDE V (USP-RS)MOGROSIDE V [USP-RS]Mogrol-3-O-(beta-D-glucopyranosyl (1-6)-beta-D-glucopyranoside)-24-O-((beta-D-glucopyranosyl (1-2))-(beta-D-glucopyranosyl(1-6))-beta-D-glucopyranoside)UNII-ZFF6Z51TURZFF6Z51TURbeta-D-Glucopyranoside, (3beta,9beta,10alpha,11alpha,24R)-3-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-6))-mogroside V_qtmogroside Ⅲ_qt
Cross References
Trusted external identifiers retained for this final record.
Cas
88901-36-4
Herb
HBIN035610HBIN035624
Npass
NPC275574NPC59909
Tcmsp
MOL010067MOL010146
Sym Map
SMIT11138SMIT11216
Tcm Id
108471084820377
Pub Chem
1452532724721270
Tcmbank
TCMBANKIN001403TCMBANKIN010515
Etcm Ingredient
Mogroside Vmogrol
Itcmdb Generated
ITX-INGREDIENT-7C89767304FBITX-INGREDIENT-9854A109A1DE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H52O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-25,31-34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,25-,28+,29-,30+/m1/s1InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,27-,28-,29-,30-,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1
Mol Wt
1287.447476.7420000000002
Cas Id
88901-36-4
Smiles
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(C3(C2CC=C4C3CCC(C4(C)C)O)C)O)C)CCC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)C
Mol Log P
-5.407600000000015.471400000000009
Version
v1,v2
In Ch Ikey
GHBNZZJYBXQAHG-KUVSNLSMSA-NJLYBBRAAICDTIS-AYEHCKLZSA-N
Ob Score
12.01912.01904612.019046077.4527576677.4527587.453
Suppress
0
Num Hdonors
194
Drug Likeness
0.0510.397
Num Hacceptors
294
Isomeric Smiles
C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)O)C)CC[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(C[C@H]([C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)O)C)C
Molecule Weight
1287.62476.82
Canonical Smiles
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(C3(C2CC=C4C3CCC(C4(C)C)O)C)O)C)CCC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)C
Herb Alias Names
88930-15-8(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diolCHEBI:138974(10alpha,24R)-9beta-Methyl-19-norlanosta-5-ene-3beta,11alpha,24,25-tetrol(23R)-cucurbit-5-ene-3beta,11alpha,23,25-tetraol(24R)-cucurbit-5-ene-3beta,11alpha,24,25-tetraol(1S,4R,9beta,11alpha,24R)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,10H,11H-cyclopenta[a]phenanthrene-7,10-diol(3S,8S,9R,10R,11R,13R,14S,17R)-17-((2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthrene-3,11-diol
Molecular Weight
1286.650476.390
Molecular Weight
1287.43
Molecular Formula
C30H52O4C60H102O29
Molecular Formula
C60H102O29
Molecular Formula
C30H52O4C60H102O29
Num Rotatable Bonds
205
Fda Maximum Daily Dose (Fdamdd)
0.0040.808
Quantitative Estimate Of Drug Likeness（Qed）
0.0510.397