Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37428
- Core Entity Id
- 56225
- Source Entity Count
- 1
- Preferred Name
- 10beta,13,14-trihydroxyalloaromadendrane
- Name En
- Pubchem Id
- 10341857
- Smiles Canonical
- CC1CCC2C1C3C(C3(C)CO)CCC2(COC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C21H36O8
- Molecular Weight
- 416.5110
- Inchikey
- MLLIKADUPHWUDA-ULCGBSGMSA-N
- Inchi
- InChI=1S/C21H36O8/c1-10-3-4-11-14(10)15-12(20(15,2)8-23)5-6-21(11,27)9-28-19-18(26)17(25)16(24)13(7-22)29-19/h10-19,22-27H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15-,16-,17+,18-,19-,20-,21-/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H]([C@@]3(C)CO)CC[C@]2(CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.7653
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10beta,13,14-trihydroxyalloaromadendrane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
10beta,13,14-trihydroxyalloaromadendrane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CHEMBL464632
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL464632
Role
alias
Source
itcmdb_public
Preferred
No
Name
DENDROSIDE A
Role
alias
Source
itcmdb_public
Preferred
No
Name
DENDROSIDE A
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL464632DENDROSIDE A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000059
Npass
NPC169782
Tcmid
38669425605121
Pub Chem
10341857
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H36O8/c1-10-3-4-11-14(10)15-12(20(15,2)8-23)5-6-21(11,27)9-28-19-18(26)17(25)16(24)13(7-22)29-19/h10-19,22-27H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15-,16-,17+,18-,19-,20-,21-/m1/s1
Mol Wt
416.511
Mol Log P
-0.7652999999999988
In Ch Ikey
MLLIKADUPHWUDA-ULCGBSGMSA-N
Num Hdonors
6
Drug Likeness
0.344
Num Hacceptors
8
Isomeric Smiles
C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H]([C@@]3(C)CO)CC[C@]2(CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Canonical Smiles
CC1CCC2C1C3C(C3(C)CO)CCC2(COC4C(C(C(C(O4)CO)O)O)O)O
Herb Alias Names
DENDROSIDE ACHEMBL464632
Molecular Formula
C21H36O8
Num Rotatable Bonds
5