Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32491
- Core Entity Id
- 39307
- Source Entity Count
- 1
- Preferred Name
- Sanggenon k
- Name En
- Pubchem Id
- 44258299
- Smiles Canonical
- CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)CC=C(C)C)O)C)C
- Molecular Formula
- C30H32O6
- Molecular Weight
- 488.5800
- Inchikey
- JDZJUEFVZGTGIJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H32O6/c1-17(2)7-6-13-30(5)14-12-20-23(32)11-10-22(29(20)36-30)28-21(9-8-18(3)4)27(34)26-24(33)15-19(31)16-25(26)35-28/h7-8,10-12,14-16,31-33H,6,9,13H2,1-5H3
- Isomeric Smiles
- CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)CC=C(C)C)O)C)C
- Cas Id
- 86450-77-3
- Ob Score
- 0.9850
- Mol Logp
- 6.9962
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3230
- Polar Surface Area
- 116.0000
- Molecular Volume
- 342.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sanggenon K
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sanggenone K
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sanggenon K
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sanggenon K
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sanggenon K
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sanggenon k
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sanggenon k
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sanggenone K
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sanggenone k
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sanggenone k
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sanggenone K
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
sanggenone K
Role
preferred
Source
TCMBank
Preferred
Yes
Name
桑枝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Morus alba
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-Sanggenone K
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Sanggenone K
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
86450-77-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
86450-77-3
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762296
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762296
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7736
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7736
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12110930
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12110930
Role
alias
Source
HERB_v2
Preferred
No
Name
sanggenon k
Role
alias
Source
TCMBank
Preferred
No
Name
15.祛风湿药(23-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
wind-dampness dispelling medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.祛风湿清热药(5-8)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-dampness dispelling and heat clearing medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Sanggenone K桑枝Morus alba(-)-Sanggenone K5,7-dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3-methylbut-2-enyl)chromen-4-one86450-77-3AKOS040762296FS-7736LMPK1211093015.祛风湿药(23-26)wind-dampness dispelling medicinal2.祛风湿清热药(5-8)wind-dampness dispelling and heat clearing medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
86450-77-3
Herb
HBIN042994HBIN043004
Npass
NPC312885
Tcmid
19251
Tcmsp
MOL012758
Sym Map
SMIT13489SMIT26643
Pub Chem
44258299
Tcmbank
TCMBANKIN045071TCMBANKIN058888
Etcm Ingredient
Sanggenon Ksanggenone K
Itcmdb Generated
ITX-INGREDIENT-035D4354570CITX-INGREDIENT-660454A3506BITX-INGREDIENT-92712DE6A788ITX-INGREDIENT-DE3EA9441165
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
7
In Ch I
InChI=1S/C30H32O6/c1-17(2)7-6-13-30(5)14-12-20-23(32)11-10-22(29(20)36-30)28-21(9-8-18(3)4)27(34)26-24(33)15-19(31)16-25(26)35-28/h7-8,10-12,14-16,31-33H,6,9,13H2,1-5H3
Mol Wt
488.5800000000003
Cas Id
86450-77-3
Smiles
CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)CC=C(C)C)O)C)Cc1(O[H])c([H])c(OC(c2c(O[C@](C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])(C([H])([H])[H])C([H])=C3[H])c3c(O[H])c([H])c2O[H])=C(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])
C4=O)c4c(O[H])c1[H]
37 Flag
37
C Count
30
Mol Log P
6.996200000000008
N Count
0
O Count
7
P Count
0
S Count
0
Version
v1,v2v2
In Ch Ikey
JDZJUEFVZGTGIJ-UHFFFAOYSA-N
Ob Score
0.9850.9852990.985299404
Suppress
0
Tcm Name
桑枝
Mol2 Path
/TCM_database/15.祛风湿药(23-26)/2.祛风湿清热药(5-8)/桑枝/strcuture/3D/Sanggenon K.mol2
Reference
660
Num Hdonors
3
Tcm Name En
Morus alba
Level1 Name
15.祛风湿药(23-26)
Level2 Name
2.祛风湿清热药(5-8)
Num H Donors
4
Drug Likeness
0.323
Num Hacceptors
6
Level1 Name En
wind-dampness dispelling medicinal
Level2 Name En
wind-dampness dispelling and heat clearing medicinal
Isomeric Smiles
CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)CC=C(C)C)O)C)C
Molecule Weight
488.62
Num H Acceptors
7
Canonical Smiles
CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)CC=C(C)C)O)C)C
Herb Alias Names
86450-77-3(-)-Sanggenone K5,7-dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3-methylbut-2-enyl)chromen-4-oneLMPK12110930AKOS040762296FS-7736
Molecular Weight
488.220504.210
Molecular Volume
342
Molecular Weight
488.57505
Molecular Formula
C30H32O6C30H32O7
Molecular Formula
C30H32O6C30H32O7
Molecular Formula
C30H32O6
Num Rotatable Bonds
6
Num Rotatable Bonds
6
Molecular Polar Surface Area
116
Fda Maximum Daily Dose (Fdamdd)
0.8810.910
Quantitative Estimate Of Drug Likeness（Qed）
0.2760.323