Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 6Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32493
- Core Entity Id
- 39309
- Source Entity Count
- 1
- Preferred Name
- Sanggenon m
- Name En
- Pubchem Id
- 44559964
- Smiles Canonical
- CC(=CCC12C3=C(C=C(C=C3)O)OC1(C(=O)C4=C(O2)C5=C(C=C4O)OC(C=C5)(C)C)O)C
- Molecular Formula
- C25H24O7
- Molecular Weight
- 436.4600
- Inchikey
- DBROKYAXMOREQD-JWQCQUIFSA-N
- Inchi
- InChI=1S/C25H24O7/c1-13(2)7-10-24-16-6-5-14(26)11-19(16)31-25(24,29)22(28)20-17(27)12-18-15(21(20)32-24)8-9-23(3,4)30-18/h5-9,11-12,26-27,29H,10H2,1-4H3/t24-,25-/m1/s1
- Isomeric Smiles
- CC(=CC[C@@]12C3=C(C=C(C=C3)O)O[C@@]1(C(=O)C4=C(O2)C5=C(C=C4O)OC(C=C5)(C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.1899
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sanggenon M
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sanggenon M
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sanggenon M
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sanggenon M
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sanggenon m
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sanggenon m
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
华桑
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUA SANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Mulberry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3R,11S)-7,11,14-trihydroxy-18,18-dimethyl-3-(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo(11.8.0.03,11.04,9.016,21)henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,11S)-7,11,14-trihydroxy-18,18-dimethyl-3-(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7As,12br)-7a,12b-dihydro-6,7a,10-trihydroxy-3,3-dimethyl-12b-(3-methyl-2-butenyl)-3H,7H-benzofuro[3,2-b]pyrano[2,3-h][1]benzopyran-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7As,12br)-7a,12b-dihydro-6,7a,10-trihydroxy-3,3-dimethyl-12b-(3-methyl-2-butenyl)-3H,7H-benzofuro[3,2-b]pyrano[2,3-h][1]benzopyran-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
92280-11-0
Role
alias
Source
HERB_v2
Preferred
No
Name
92280-11-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL459611
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL459611
Role
alias
Source
HERB_v2
Preferred
No
Name
Sanggenone M
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sanggenone m
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sanggenone M
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
华桑HUA SANGChinese Mulberry(3R,11S)-7,11,14-trihydroxy-18,18-dimethyl-3-(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo(11.8.0.03,11.04,9.016,21)henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one(3R,11S)-7,11,14-trihydroxy-18,18-dimethyl-3-(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one(7As,12br)-7a,12b-dihydro-6,7a,10-trihydroxy-3,3-dimethyl-12b-(3-methyl-2-butenyl)-3H,7H-benzofuro[3,2-b]pyrano[2,3-h][1]benzopyran-7-one92280-11-0CHEMBL459611Sanggenone M
Cross References
Trusted external identifiers retained for this final record.
Cas
92280-11-0
Herb
HBIN043006HBIN042996
Npass
NPC264932
Tcmid
19253
Tcmsp
MOL012760
Sym Map
SMIT26645SMIT13491
Pub Chem
44559964
Tcmbank
TCMBANKIN043595TCMBANKIN027724
Etcm Ingredient
Sanggenon Msanggenone M
Itcmdb Generated
ITX-INGREDIENT-703E71C2979DITX-INGREDIENT-B0CAC4BF8E77ITX-INGREDIENT-B8C731B667A9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C25H24O7/c1-13(2)7-10-24-16-6-5-14(26)11-19(16)31-25(24,29)22(28)20-17(27)12-18-15(21(20)32-24)8-9-23(3,4)30-18/h5-9,11-12,26-27,29H,10H2,1-4H3/t24-,25-/m1/s1
Mol Wt
436.4600000000002
Mol Log P
4.189900000000002
Version
v2
In Ch Ikey
DBROKYAXMOREQD-JWQCQUIFSA-N
Suppress
0
Tcm Name
华桑
Tcm Name2
HUA SANG
Mol2 Path
/TCM_database/2007_3d_all/19268.mol2
Reference
660, 1521, 3034
Num Hdonors
3
Tcm Name En
Chinese Mulberry
Drug Likeness
0.606
Num Hacceptors
7
Isomeric Smiles
CC(=CC[C@@]12C3=C(C=C(C=C3)O)O[C@@]1(C(=O)C4=C(O2)C5=C(C=C4O)OC(C=C5)(C)C)O)C
Molecule Weight
436.49
Canonical Smiles
CC(=CCC12C3=C(C=C(C=C3)O)OC1(C(=O)C4=C(O2)C5=C(C=C4O)OC(C=C5)(C)C)O)C
Herb Alias Names
92280-11-0(3R,11S)-7,11,14-trihydroxy-18,18-dimethyl-3-(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo(11.8.0.03,11.04,9.016,21)henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one(3R,11S)-7,11,14-trihydroxy-18,18-dimethyl-3-(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-oneCHEMBL459611(7As,12br)-7a,12b-dihydro-6,7a,10-trihydroxy-3,3-dimethyl-12b-(3-methyl-2-butenyl)-3H,7H-benzofuro[3,2-b]pyrano[2,3-h][1]benzopyran-7-one
Molecular Weight
436.150
Molecular Weight
436.5 g/mol
Molecular Formula
C25H24O7
Molecular Formula
C25H24O7
Molecular Formula
C25H24O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.830
Quantitative Estimate Of Drug Likeness（Qed）
0.606